⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5459370 | 0.76 | — | — | |
| SCHEMBL105111 | 0.71 | — | — | |
| SCHEMBL3719267 | 0.67 | — | — | |
| SCHEMBL8486927 | 0.67 | — | — | |
| Urea SCHEMBL27439426 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL23569115 | 0.65 | — | — | |
| SCHEMBL21188513 | 0.64 | — | — | |
| SCHEMBL20695814 | 0.63 | LMNA (0.31) | — | |
| SCHEMBL465703 | 0.63 | LMNA (0.31) | — | |
| SCHEMBL21064484 | 0.63 | ALOX15 (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 |
|---|---|---|---|---|---|---|---|
| EP-0238357-B1 | 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE | Sankyo Company Limited (JP) | 1991-05-29 | — | — | EP | disclosed |
| US-4898862-A | 1,2,4-triazinone derivatives, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1990-02-06 | — | — | US | disclosed |
| EP-0238357-A2 | 1,2,4-Triazinone derivatives, their preparation and use | Sankyo Company Limited (JP) | 1987-09-23 | — | — | EP | disclosed |