⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28274484 | 0.76 | — | — | |
| SCHEMBL9686807 | 0.73 | — | — | |
| SCHEMBL9687206 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL240567 | 0.67 | — | — | |
| SCHEMBL25368925 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL28329368 | 0.65 | — | — | |
| SCHEMBL27407489 | 0.65 | — | — | |
| SCHEMBL21573915 | 0.63 | — | — | |
| SCHEMBL9687561 | 0.63 | — | — | |
| SCHEMBL11099301 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0159040-B1 | PYRIDINE DERIVATIVES AND PRODUCTION THEREOF | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1992-12-09 | — | — | EP | disclosed |
| US-5036059-A | Hypotensive agents, vasodilators | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1991-07-30 | — | — | US | disclosed |
| EP-0159040-A2 | Pyridine derivatives and production thereof | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1985-10-23 | — | — | EP | disclosed |