⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2285414 | 0.73 | CYP1A2 (0.36) | — | |
| SCHEMBL14670259 | 0.68 | L3MBTL1 (0.39) | — | |
| SCHEMBL22148462 | 0.67 | PER2 (0.35) | — | |
| SCHEMBL16181424 | 0.66 | L3MBTL1 (0.49) | — | |
| SCHEMBL15262869 | 0.64 | — | — | |
| SCHEMBL2535910 | 0.64 | — | — | |
| SCHEMBL178424 | 0.64 | — | — | |
| SCHEMBL26853486 | 0.64 | RAB9A (0.32) | — | |
| SCHEMBL27022789 | 0.64 | EPHX2 (0.32) | — | |
| SCHEMBL18591654 | 0.64 | CA1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0512831-B1 | Fibrinogen receptor antagonists | MERCK & CO INC (US) | 1999-09-22 | — | — | EP | disclosed |
| US-5455243-A | Anticoagulants | MERCK & CO., INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5281585-A | Secondary amide containing antagonist | MERCK & CO., INC. (US) | 1994-01-25 | — | — | US | disclosed |
| WO-1992019595-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1992-11-12 | — | — | WO | disclosed |
| EP-0512831-A1 | Fibrinogen receptor antagonists | MERCK & CO. INC. (US) | 1992-11-11 | — | — | EP | disclosed |