⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL176609 | 0.91 | CNR2 (0.39) | — | |
| SCHEMBL644072 | 0.84 | CNR2 (0.37) | — | |
| SCHEMBL4221064 | 0.78 | CNR2 (0.44) | — | |
| SCHEMBL4221069 | 0.78 | CNR2 (0.44) | — | |
| SCHEMBL176466 | 0.76 | CNR2 (0.43) | — | |
| SCHEMBL257716 | 0.74 | CNR2 (0.46) | — | |
| SCHEMBL4219368 | 0.74 | CNR2 (0.46) | — | |
| SCHEMBL9149503 | 0.74 | — | — | |
| SCHEMBL14089375 | 0.74 | CNR2 (0.40) | — | |
| SCHEMBL176696 | 0.72 | CNR2 (0.52) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1937259-B1 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-11-23 | — | — | EP | disclosed |