⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8376537 | 0.88 | PPARG (0.30) | — | |
| SCHEMBL8377381 | 0.86 | PPARA (0.36) | — | |
| SCHEMBL8378845 | 0.85 | S1PR1 (0.32) | — | |
| SCHEMBL8376860 | 0.85 | KDM4E (0.30) | — | |
| SCHEMBL8375765 | 0.84 | — | — | |
| SCHEMBL8380145 | 0.84 | FAAH (0.34) | — | |
| SCHEMBL8376210 | 0.83 | FAAH (0.35) | — | |
| SCHEMBL8375523 | 0.83 | HRH3 (0.33) | — | |
| SCHEMBL8375714 | 0.83 | FAAH (0.37) | — | |
| SCHEMBL8377362 | 0.83 | MEN1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6005116-A | HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA | SANKYO COMPANY, LIMITED (JP) | 1999-12-21 | — | — | US | disclosed |
| EP-0885891-A1 | ISOXAZOLE DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1998-12-23 | — | — | EP | disclosed |