⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8730946 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL22499627 | 0.76 | — | — | |
| SCHEMBL16503533 | 0.74 | — | — | |
| SCHEMBL2421580 | 0.74 | — | — | |
| SCHEMBL11131760 | 0.72 | — | — | |
| SCHEMBL9729344 | 0.71 | CES2 (0.39) | — | |
| SCHEMBL16367002 | 0.70 | — | — | |
| SCHEMBL10899735 | 0.70 | KMT2A (0.33) | — | |
| SCHEMBL2579 | 0.70 | — | — | |
| SCHEMBL9007442 | 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 3 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 |