⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL695835 | 0.91 | EPHX1 (0.41) | — | |
| SCHEMBL697833 | 0.91 | EPHX1 (0.37) | — | |
| SCHEMBL1439733 | 0.89 | EPHX1 (0.44) | — | |
| SCHEMBL188404 | 0.89 | EPHX1 (0.44) | — | |
| SCHEMBL1568832 | 0.87 | CYP19A1 (0.43) | — | |
| SCHEMBL1497921 | 0.86 | L3MBTL1 (0.35) | — | |
| SCHEMBL9034149 | 0.82 | HTT (0.30) | — | |
| SCHEMBL9034880 | 0.79 | NAAA (0.30) | — | |
| SCHEMBL1078049 | 0.78 | ALDH1A1 (0.57) | — | |
| SCHEMBL4640870 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0721454-A1 | NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST | J. URIACH & CIA. S.A. (ES) | 1996-07-17 | — | — | EP | disclosed |
| US-5475114-A | Angiotensin-11 antagonist; therapeutical agent used for treating hypertension and chronic heart failure | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1995-12-12 | — | — | US | disclosed |
| EP-0646584-A1 | PYRAZOLOTRIAZOLE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-04-05 | — | — | EP | disclosed |