⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6594467 | 0.92 | — | — | |
| Bicarbonate SCHEMBL2169350 | 0.83 | TSHR (0.45) | — | |
| Bicarbonate SCHEMBL9835481 | 0.83 | TSHR (0.45) | — | |
| Bicarbonate SCHEMBL11744374 | 0.80 | TSHR (0.43) | — | |
| Adipic Acid SCHEMBL9504707 | 0.79 | LMNA (0.58) | — | |
| SCHEMBL8646663 | 0.79 | MCL1 (0.48) | — | |
| SCHEMBL454017 | 0.79 | — | — | |
| Adipic Acid SCHEMBL28268122 | 0.79 | LMNA (0.58) | — | |
| SCHEMBL909621 | 0.79 | — | — | |
| Bicarbonate SCHEMBL4954542 | 0.78 | TSHR (0.41) | — |
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-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 |
| US-4042773-A | REACTION WITH POLYMERS | PENNWALT CORPORATION (US) | 1977-08-16 | — | — | US | disclosed |