ChemScene‑18 Novelty Focused Drug‑Like Library
| Cat. No. : CS-L944 |
|---|
| （11028） |
| Library Contents: |
| ChemScene 18 stands for Medicinal Chemistry Evolution 2018. This metric was established based on structural data of 28,161 patented lead molecules, 1,370 marketed innovative drugs, and nearly 30,000 investigational candidates from preclinical to Phase III stages across 23 major global pharmaceutical companies from 1950 to 2018. After scaffold clustering analysis, a scoring model was constructed by integrating five three dimensional scaffold characteristics, including aromatic rings (AR), non aromatic heterocycles (NAR), chiral centers (CHIRAL), spirocycles (SPIRO), and the sp³ carbon ratio in cyclic and acyclic moieties, enabling quantitative assessment of molecular scaffold novelty and three dimensional complexity. According to the score distribution of patented molecules, the top 25% of the original patent dataset was defined as the high novelty region. ChemScene 18 high scoring compounds selected based on this criterion can effectively avoid scaffold patent conflicts and intellectual property risks from the source. Molecules in this range typically feature a high sp³ carbon ratio, abundant chiral centers, spirocycles, and fused heterocycles with prominent three dimensional conformations. Their spatial properties allow precise matching to complex non traditional undruggable target pockets such as PPI interfaces and allosteric sites, making them ideal structural types for early stage screening of First in class drugs. ChemScene‑18 Novelty Focused drug‑Like library strictly selects molecules from the aforementioned high scoring range, containing more than 10,000 premium drug like molecules with highly diverse scaffolds and rich 3D diversity. It can be used for high throughput screening of well established targets such as kinases, GPCRs, and proteases, and is especially suitable for hit identification in allosteric modulation, protein–protein interactions, and various undruggable orphan targets, fully supporting early stage drug discovery for cutting edge innovat |
| Size (Pre-dissolved DMSO or Solid) | Stock | Price |
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| In-stock | Get quote |
Products are for research use only. Not for human use. We do not sell to patients.
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Data Sheet
Description & Advantages
Composition
| Formulation: | A compound library focusing on high scaffold novelty and 3D structural complexity, consisting of drug-like molecules with top-ranked MCE 18 scores for molecular novelty and 3D complexity, ideal for drug discovery against challenging innovative targets. |
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| Container: | 96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube With Screw Cap and Optional 2D Barcode. |
| Storage: | -80°C |
| Shipping: | Blue ice or dry ice |
• A unique library of over 11,000 highly novel, 3D-enriched drug-like compounds tailored for innovative drug discovery against both conventional and undruggable targets.
• Screened by stringent high‑rank MCE-18 empirical criteria, it is applied to the screening of both conventional targets and challenging targets.
• All compounds are available off the shelf.
• All compounds are validated by LC-MS or NMR to ensure high purity and quality.
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