⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL669895 | 0.78 | — | — | |
| Water SCHEMBL3941275 | 0.71 | — | — | |
| SCHEMBL744755 | 0.71 | — | — | |
| SCHEMBL791036 | 0.67 | — | — | |
| SCHEMBL797488 | 0.65 | — | — | |
| SCHEMBL27661021 | 0.65 | — | — | |
| SCHEMBL857009 | 0.65 | — | — | |
| SCHEMBL12457973 | 0.65 | — | — | |
| SCHEMBL1969351 | 0.64 | — | — | |
| SCHEMBL18115365 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |
| US-6962923-B2 | Pyrazole compositions | PFIZER INC. (US) | 2005-11-08 | — | — | US | disclosed |
| US-20030232848-A1 | Pyrazole compositions | PFIZER INC. | 2003-12-18 | — | — | US | disclosed |
| US-6573270-B1 | Endothelin receptor antagonists | PFIZER INC. | 2003-06-03 | — | — | US | disclosed |
| EP-1072597-A1 | Pyrazoles and their use as endothelin antagonists | Pfizer Limited (GB) | 2001-01-31 | — | — | EP | disclosed |