⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15159723 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL1372367 | 0.79 | SOAT1 (0.42) | — | |
| SCHEMBL5958879 | 0.76 | TSHR (0.54) | — | |
| SCHEMBL2070544 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL28335052 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL28746307 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL233841 | 0.72 | — | — | |
| SCHEMBL2471546 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL15760653 | 0.67 | — | — | |
| SCHEMBL23113779 | 0.67 | CES2 (0.50) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103193662-A | Method for preparing Beta-amino ester through copper-catalyzed three-component coupling reaction | UNIV BEIJING SCIENCE & TECH | 2013-07-10 | — | — | CN | claimed |
| CN-102295582-A | Preparation method of alpha, beta-diamino acid derivatives with alpha-quaternary carbon | — | 2011-12-28 | — | — | CN | claimed |
| CN-104910034-A | Alpha, beta-diamino acid derivative with optically active alpha-quaternary carbon and preparation method and application thereof | UNIV EAST CHINA NORMAL | 2015-09-16 | — | — | CN | disclosed |
| US-8871916-B2 | Diaryl phosphine compounds | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2014-10-28 | — | — | US | disclosed |
| US-20130203974-A1 | Preparation of Diazo and Diazonium Compounds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-08-08 | — | — | US | disclosed |
| CN-103193662-A | Method for preparing Beta-amino ester through copper-catalyzed three-component coupling reaction | UNIV BEIJING SCIENCE & TECH | 2013-07-10 | — | — | CN | disclosed |
| CN-102295582-A | Preparation method of alpha, beta-diamino acid derivatives with alpha-quaternary carbon | — | 2011-12-28 | — | — | CN | disclosed |
| US-5591854-A | CATALYTIC CONDENSATION OF DIENES AND VINYLDIAZOMETHANEESTERS | WAKE FOREST UNIVERSITY (US) | 1997-01-07 | — | — | US | disclosed |
| WO-1996011928-A1 | ENANTIOSELECTIVE SYNTHESIS OF SEVEN-MEMBERED CARBOCYCLES AND TROPANES | WAKE FOREST UNIVERSITY (US) | 1996-04-25 | — | — | WO | disclosed |