⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17559820 | 0.59 | — | — | |
| SCHEMBL405287 | 0.57 | — | — | |
| SCHEMBL22121184 | 0.43 | GLA (0.31) | — | |
| SCHEMBL15850523 | 0.43 | KIF11 (0.44) | — | |
| SCHEMBL6754916 | 0.41 | POLB (0.41) | — | |
| SCHEMBL63468 | 0.41 | ALDH1A1 (0.67) | — | |
| SCHEMBL10600250 | 0.41 | NOTUM (0.30) | — | |
| SCHEMBL1037620 | 0.38 | — | — | |
| SCHEMBL8466155 | 0.38 | — | — | |
| Dibromodifluoromethane SCHEMBL102197 | 0.38 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2094705-B1 | AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2012-04-18 | — | — | EP | claimed |
| EP-0942909-B1 | BICYCLIC AMINE DERIVATIVES | SYNGENTA LTD (GB) | 2002-06-12 | — | — | EP | disclosed |