⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24116900 | 1.00 | — | — | |
| SCHEMBL7428614 | 1.00 | — | — | |
| SCHEMBL831212 | 0.79 | — | — | |
| SCHEMBL11036382 | 0.79 | — | — | |
| SCHEMBL11036377 | 0.79 | — | — | |
| SCHEMBL13531532 | 0.79 | — | — | |
| SCHEMBL831211 | 0.79 | — | — | |
| SCHEMBL7424929 | 0.78 | NPSR1 (0.50) | — | |
| SCHEMBL7424926 | 0.78 | NPSR1 (0.50) | — | |
| SCHEMBL7913300 | 0.78 | NPSR1 (0.50) | — |
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-0233015-B1 | 1,4-Dihydropyridines | WYETH JOHN & BROTHER LTD (GB) | 1995-10-18 | — | — | EP | disclosed |
| EP-0233015-A2 | 1,4-Dihydropyridines | JOHN WYETH & BROTHER LIMITED (GB) | 1987-08-19 | — | — | EP | disclosed |
| US-4686217-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS | FISONS PLC (GB) | 1987-08-11 | — | — | US | disclosed |
| US-4607041-A | CARDIOTONIC AGENTS | FISONS PLC (GB) | 1986-08-19 | — | — | US | disclosed |
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | disclosed |