⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4986967 | 0.74 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL4279049 | 0.70 | — | — | |
| SCHEMBL12471517 | 0.65 | — | — | |
| SCHEMBL11812957 | 0.59 | — | — | |
| SCHEMBL2896973 | 0.59 | — | — | |
| SCHEMBL147227 | 0.58 | — | — | |
| SCHEMBL30937682 | 0.56 | KCNJ1 (0.40) | — | |
| Methyl 4-Pyridylketone SCHEMBL55235 | 0.54 | — | — | |
| Methyl 4-Pyridylketone SCHEMBL28979293 | 0.53 | NAPRT (0.56) | — | |
| SCHEMBL13165482 | 0.52 | KCNJ1 (0.52) | — |
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-5175161-A | Treatment of glaucoma | SANKYO COMPANY, LIMITED (JP) | 1992-12-29 | — | — | US | claimed |
| EP-0391721-A2 | Ocular hypotensive agents | Sankyo Company Limited (JP) | 1990-10-10 | — | — | EP | claimed |
| US-5273976-A | Ocular hypotensive agents | SANKYO COMPANY, LIMITED (JP) | 1993-12-28 | — | — | US | disclosed |
| US-5175161-A | Treatment of glaucoma | SANKYO COMPANY, LIMITED (JP) | 1992-12-29 | — | — | US | disclosed |
| EP-0391721-A2 | Ocular hypotensive agents | Sankyo Company Limited (JP) | 1990-10-10 | — | — | EP | disclosed |