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TIDEA (Target Independent Drug Enhancement Algorithm) is an in-silico screening computer program that distinguishes potent small molecule inhibitors from weaker inhibitors that bind the same target. In sharp contrast to conventional QSAR and docking-based approaches, TIDEA requires only the 2D structure of the small molecule. TIDEA predicts relative adhesiveness rather than shape complimentarity: it does not require knowledge of the target structure, target identity, or bioactivity of related small molecules (SAR). Selection of small molecules with high TIDEA scores increases average potency and drug-like character without decreasing small molecule structural diversity or target diversity, making it ideal for initial filtering of universal libraries and corporate compound collections prior to biological screening.
Since 2006, Focus Synthesis has been a contract research organization/chemical manufacturer. Our laboratory space in San Diego, California is used for custom medicinal chemistry and synthesis of rare chemicals for our catalog. The new synthetic laboratory is suitable for small scale (1 mg to 50 grams) synthesis of exclusive custom synthesis items and Special Order (nonexclusive custom) catalog items. Our in-house strengths include distinctive molecules with the following functional groups and side chains: aryl bromide and boronic acid (especially heterocycles) for Suzuki-Miyaura cross-coupling, alkoxyamine, aryl iodide, alkyne (for Sonogashira cross-coupling), bromoketone, sulfonyl chloride, difluoromethoxy, and others. Our in-house laboratory is particularly strong in unsual heterocyclic building blocks and synthons derived from azetidine, isothiazole, oxetane, pyridine, pyridazine, and a wide variety of exotic hetercycles.
Supplementing these in-house capabilities, Focus Synthesis will continue to use its established relationships with a world-wide network of suppliers to identify the best match for your requirements for custom synthesis projects. Focus Synthesis will determine which supplier is most appropriate in terms of synthetic capabilities, timing, price, and desired level of purity. Focus will add value by taking care of synthetic route design and follow-up with the synthetic laboratory to ensure timely delivery of product with the desired specifications, and ensuring that all of the required analytical and spectroscopic work is done.
Focus Synthesis custom outsourcing emphasizes small organic molecules made on scales from 1 mg to 1 kg under non-GMP conditions. However, Focus Synthesis has also arranged outsourcing of other services, including pilot plant scale synthesis up to 100kg.
Focus Synthesis now offers confidential building block design services to help meet your specific requirements for
diversity and property space coverage in medicinal and high-throughput chemistry. The synthetic intermediates made
through Synthon Design ServicesSM, known as SDS Building BlocksTM, will be substantially distinct
from commercially available building blocks. All rights to the molecules and their method of synthesis will be made
available to you, and your will be able to specify a period of exclusivity (no listing in the Focus Synthesis catalog)
ranging from 6 months to 6 years. Differentiation from commercial building blocks will be based on Rare and Unique
SubstructuresTM, ultrarare substructures (RubySynthonsTM), exotic heterocycles
(RubyScaffoldsTM), rare molecular graphs (RubyShapesTM), and Cheminformatic Gap FillersTM.
More detailed descriptions of the corresponding catalog products can be found on the
A more focused service, also requiring the protection of a nondisclosure agreement, would provide the most useful diversity by identify building blocks that are distinct relative to your corporate compound collection as well as commercial databases. SDS Building BlocksTM will be designed to meet other specifications that you define, such as PSA, ClogP, FW, EA, type of functionality, ring system, complexity, rule-of-five, etc.
Care will be taken to ensure synthetic accessibility. If warranted, in-house trial runs of key synthetic steps can be carried out in house on small (~100 mg) scales to better determine feasibility. In-house custom synthesis of larger quantities (up to 20 grams) by Focus Synthesis will be provided as an option. Part of the design cost will be discounted if you choose Focus Synthesis to synthesize the SDS blocksTM.