⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2083697 | 0.91 | — | — | |
| SCHEMBL18081197 | 0.83 | CHRNB2 (0.37) | — | |
| SCHEMBL12093056 | 0.79 | CYP11B2 (0.58) | — | |
| SCHEMBL1333980 | 0.79 | CYP11B2 (0.58) | — | |
| SCHEMBL12533786 | 0.78 | CYP2A6 (0.33) | — | |
| SCHEMBL12533784 | 0.78 | CYP2A6 (0.33) | — | |
| SCHEMBL12533785 | 0.78 | CYP2A6 (0.33) | — | |
| SCHEMBL6618885 | 0.77 | CHRNB4 (0.49) | — | |
| Hydrochloric Acid SCHEMBL12077419 | 0.77 | CYP11B2 (0.56) | — | |
| SCHEMBL1335785 | 0.77 | OPRM1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350068-B1 | UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2017-08-30 | — | — | EP | disclosed |
| EP-2350068-B1 | UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2017-08-30 | — | — | EP | disclosed |
| 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-20110275595-A1 | Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-10 | — | — | US | disclosed |