⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5704321 | 0.79 | CYP3A4 (0.45) | — | |
| SCHEMBL7306106 | 0.79 | — | — | |
| SCHEMBL31490403 | 0.75 | PGK1 (0.32) | — | |
| SCHEMBL6058068 | 0.74 | — | — | |
| SCHEMBL11871906 | 0.73 | TP53 (0.39) | — | |
| SCHEMBL10630456 | 0.73 | — | — | |
| SCHEMBL1490621 | 0.71 | TSHR (0.59) | — | |
| SCHEMBL17720338 | 0.70 | TP53 (0.52) | — | |
| SCHEMBL11822831 | 0.69 | — | — | |
| SCHEMBL11310126 | 0.67 | — | — |
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-5126291-A | Non-steroidal antiinflammatory agents | AMERICAN CYANAMID COMPANY (US) | 1992-06-30 | — | — | US | disclosed |
| US-4981989-A | Antihypertensive phosphate derivatives and intermediates thereof | AMERICAN CYANAMID COMPANY (US) | 1991-01-01 | — | — | US | disclosed |
| US-4894367-A | CARDIOVASCULAR DISORDERS | AMERICAN CYANAMID COMPANY (US) | 1990-01-16 | — | — | US | disclosed |
| US-4883816-A | SULFONYL DERIVATIVES | AMERICAN CYANAMID COMPANY (US) | 1989-11-28 | — | — | US | disclosed |
| US-4762942-A | AMINO SUBSTITUTED, INNER SALTS | AMERICAN CYANAMID CO. (US) | 1988-08-09 | — | — | US | disclosed |