⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5201798 | 0.71 | — | — | |
| SCHEMBL1458221 | 0.58 | — | — | |
| SCHEMBL13297656 | 0.58 | — | — | |
| SCHEMBL497909 | 0.51 | — | — | |
| SCHEMBL1072248 | 0.51 | — | — | |
| SCHEMBL15738348 | 0.51 | — | — | |
| SCHEMBL8834971 | 0.51 | — | — | |
| SCHEMBL6415877 | 0.51 | — | — | |
| SCHEMBL22750853 | 0.51 | — | — | |
| SCHEMBL13569087 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4236027-A | Novel 11-alkoxy-9-keto (or hydroxy)-prostenoic acid derivatives and method for preparing same | AMERICAN CYANAMID COMPANY (US) | 1980-11-25 | — | — | US | disclosed |
| US-4180677-A | Novel prostaglandins | AMERICAN CYANAMID COMPANY (US) | 1979-12-25 | — | — | US | disclosed |
| US-4152524-A | BRONCHODILATORS, HYPOTENSIVE | AMERICAN CYANAMID COMPANY (US) | 1979-05-01 | — | — | US | disclosed |
| US-4076947-A | BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS | AMERICAN CYANAMID COMPANY (US) | 1978-02-28 | — | — | US | disclosed |
| US-3993674-A | ANTIULCER, BRONCHODILATOR, HYPOTENSIVE | AMERICAN CYANAMID COMPANY (US) | 1976-11-23 | — | — | US | disclosed |