⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333208 | 0.80 | — | — | |
| SCHEMBL3733743 | 0.78 | LTA4H (0.34) | — | |
| SCHEMBL2105621 | 0.70 | — | — | |
| SCHEMBL8848238 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL499558 | 0.65 | — | — | |
| SCHEMBL3744025 | 0.62 | — | — | |
| SCHEMBL908783 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL1372426 | 0.59 | ALDH1A1 (0.41) | — | |
| SCHEMBL23829686 | 0.55 | — | — | |
| Tetraxetan SCHEMBL15766009 | 0.53 | HSD17B10 (0.61) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107118170-B | Preparation method of azoxytetrazole | 北京理工大学 | 2020-01-07 | — | — | CN | claimed |
| EP-0758328-B1 | ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING | BTG INT LTD (GB) | 2003-07-16 | — | — | EP | claimed |
| CN-107118170-B | Preparation method of azoxytetrazole | 北京理工大学 | 2020-01-07 | — | — | CN | disclosed |
| EP-2546232-A1 | Diphenyl Substituted Alkanes | Merck Sharp & Dohme Corp. (US) | 2013-01-16 | — | — | EP | disclosed |
| US-7829580-B2 | Cyclic amine derivative having heteroaryl ring | SANKYO COMPANY, LTD. (JP) | 2010-11-09 | — | — | US | disclosed |
| US-20100190761-A1 | DIPHENYL SUBSTITUTED ALKANES | MERCK SHARP & DOHME CORP. | 2010-07-29 | — | — | US | disclosed |
| EP-2170065-A1 | DIPHENYL SUBSTITUTED ALKANES | Merck Sharp & Dohme Corp. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2008156721-A1 | DIPHENYL SUBSTITUTED ALKANES | MERCK & CO., INC. (US) | 2008-12-24 | — | — | WO | disclosed |
| US-20060270706-A1 | Cyclic amine derivative having heteroaryl ring | SANKYO COMPANY, LTD. (JP) | 2006-11-30 | — | — | US | disclosed |
| EP-1695962-A1 | CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING | Sankyo Company, Limited (JP) | 2006-08-30 | — | — | EP | disclosed |
| WO-1992016524-A1 | BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE | MERCK & CO., INC. (US) | 1992-10-01 | — | — | WO | disclosed |