⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8159098 | 0.81 | PKM (0.30) | — | |
| SCHEMBL810589 | 0.79 | — | — | |
| SCHEMBL669549 | 0.79 | — | — | |
| Bicarbonate SCHEMBL8829543 | 0.78 | TP53 (0.37) | — | |
| SCHEMBL6594415 | 0.77 | — | — | |
| SCHEMBL5504878 | 0.77 | — | — | |
| SCHEMBL839714 | 0.77 | — | — | |
| SCHEMBL30495540 | 0.77 | CES2 (0.32) | — | |
| SCHEMBL770602 | 0.77 | — | — | |
| SCHEMBL7805096 | 0.77 | — | — |
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 9 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-5318969-A | Hypotensive, vasodilating action and muscle relaxants | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-06-07 | — | — | US | disclosed |
| EP-0339562-B1 | BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1993-09-15 | — | — | EP | disclosed |
| US-5143936-A | Benzopyran compound and its pharmaceutical use | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1992-09-01 | — | — | US | disclosed |
| US-5021432-A | Hypotensive agents | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1991-06-04 | — | — | US | disclosed |
| EP-0339562-A1 | Benzopyran compound and its pharmaceutical use | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1989-11-02 | — | — | EP | disclosed |