⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28249711 | 1.00 | TSHR (0.42) | — | |
| SCHEMBL22438694 | 1.00 | TSHR (0.42) | — | |
| SCHEMBL2315794 | 0.97 | — | — | |
| SCHEMBL6702930 | 0.89 | — | — | |
| SCHEMBL3265077 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL2018319 | 0.74 | — | — | |
| SCHEMBL7611194 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL7133112 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL5586092 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL3507116 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0779281-B1 | ISOXAZOLES | SANKYO CO (JP) | 2003-10-29 | — | — | EP | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-6096771-A | ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE | SANKYO COMPANY, LIMITED (JP) | 2000-08-01 | — | — | US | disclosed |
| US-5965591-A | MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE | SANKYO COMPANY, LIMITED (JP) | 1999-10-12 | — | — | US | disclosed |
| EP-0779281-A1 | ISOXAZOLES | SANKYO COMPANY LIMITED (JP) | 1997-06-18 | — | — | EP | disclosed |