⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28477029 | 0.70 | — | — | |
| SCHEMBL28477700 | 0.70 | — | — | |
| SCHEMBL1292713 | 0.67 | — | — | |
| SCHEMBL30980 | 0.67 | — | — | |
| SCHEMBL29167957 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL4908314 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL487573 | 0.63 | — | — | |
| SCHEMBL22833843 | 0.62 | — | — | |
| SCHEMBL28734130 | 0.60 | — | — | |
| SCHEMBL2921014 | 0.59 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103168033-A | Quinazoline compounds as sodium channel blockers | PURDUE PHARMA LP | 2013-06-19 | — | — | CN | disclosed |
| US-20100047438-A1 | UNIFORMLY COLOURED CERAMIC FRAMEWORK AND COLOURING SOLUTION | 3M ESPE AG (a wholly-owned subsidiary of 3M COMPANY) | 2010-02-25 | — | — | US | disclosed |
| US-20060117989-A1 | Uniformly coloured ceramic framework and colouring solution | 3M ESPE (DE) | 2006-06-08 | — | — | US | disclosed |
| EP-1486476-B1 | Uniformly coloured ceramic framework and colouring solution | 3M ESPE AG (DE) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004110959-A1 | UNIFORMLY COLOURED CERAMIC FRAMEWORK AND CERAMIC COLOURING SOLUTION | 3M ESPE AG (DE) | 2004-12-23 | — | — | WO | disclosed |
| EP-1486476-A1 | Uniformly coloured ceramic framework and colouring solution | 3M Espe AG (DE) | 2004-12-15 | — | — | EP | disclosed |