⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5545821 | 0.82 | HTT (0.30) | — | |
| SCHEMBL2500175 | 0.82 | — | — | |
| SCHEMBL5227738 | 0.72 | CYP1A2 (0.40) | — | |
| SCHEMBL64917 | 0.72 | CYP1A2 (0.40) | — | |
| SCHEMBL3815305 | 0.72 | ADORA2A (0.32) | — | |
| SCHEMBL20524986 | 0.72 | CYP2A6 (0.32) | — | |
| SCHEMBL12079364 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL28786113 | 0.71 | NPC1 (0.31) | — | |
| SCHEMBL3237917 | 0.69 | CA1 (0.30) | — | |
| SCHEMBL705487 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1284267-B1 | TRIAZOLE COMPOUNDS HAVING AMIDE LINKAGE | SANKYO CO (JP) | 2004-12-15 | — | — | EP | disclosed |
| US-6653330-B2 | Such as 4'-chloro-4-(5-(3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4 -triazol-1-y)butyl)-1,3-dioxan-2-yl)-benzanilide; antifungal activity | SANKYO COMPANY, LIMITED (JP) | 2003-11-25 | — | — | US | disclosed |
| US-20030176480-A1 | For therapy and prophylaxis of fungal infections | SANKYO COMPANY, LIMITED (JP) | 2003-09-18 | — | — | US | disclosed |
| EP-1284267-A1 | TRIAZOLE COMPOUNDS HAVING AMIDE LINKAGE | Sankyo Company, Limited (JP) | 2003-02-19 | — | — | EP | disclosed |