⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7288913 | 1.00 | — | — | |
| SCHEMBL7288916 | 1.00 | — | — | |
| SCHEMBL6559755 | 0.86 | — | — | |
| SCHEMBL20089272 | 0.86 | — | — | |
| SCHEMBL6559761 | 0.86 | — | — | |
| SCHEMBL3341392 | 0.82 | — | — | |
| SCHEMBL13588938 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL12313091 | 0.80 | — | — | |
| SCHEMBL9510313 | 0.73 | — | — | |
| SCHEMBL30018076 | 0.72 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8829027-B2 | Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-09 | — | — | US | disclosed |
| US-20120115853-A1 | Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-10 | — | — | US | disclosed |
| US-20110275595-A1 | Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-10 | — | — | US | disclosed |
| EP-0147211-B1 | 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION | SYNTEX (U.S.A.) INC. (US) | 1990-09-12 | — | — | EP | disclosed |
| US-4657893-A | ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) INC. (US) | 1987-04-14 | — | — | US | disclosed |
| EP-0147211-A2 | 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation | SYNTEX (U.S.A.) INC. (US) | 1985-07-03 | — | — | EP | disclosed |