⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7299111 | 0.78 | PKM (0.32) | — | |
| SCHEMBL7299203 | 0.75 | TDP1 (0.38) | — | |
| SCHEMBL7301451 | 0.74 | HTR2C (0.39) | — | |
| SCHEMBL7300502 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL7294345 | 0.70 | — | — | |
| SCHEMBL7301405 | 0.69 | HTR2C (0.40) | — | |
| SCHEMBL7297844 | 0.68 | HTR2C (0.39) | — | |
| SCHEMBL7290867 | 0.61 | ITGB2 (0.39) | — | |
| SCHEMBL7301456 | 0.60 | TRPV1 (0.34) | — | |
| SCHEMBL9531727 | 0.60 | MEN1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5260444-A | Cardiovascular, hypotensive | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1993-11-09 | — | — | US | disclosed |
| US-5208245-A | Hypotensive agents | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1993-05-04 | — | — | US | disclosed |
| EP-0460418-A2 | Novel Dihydropyridine derivative | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1991-12-11 | — | — | EP | disclosed |