⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3070359 | 0.81 | NOTUM (0.33) | — | |
| SCHEMBL9464929 | 0.81 | NOS1 (0.38) | — | |
| SCHEMBL6071914 | 0.69 | CYP19A1 (0.31) | — | |
| SCHEMBL3805547 | 0.66 | — | — | |
| SCHEMBL11582427 | 0.65 | — | — | |
| SCHEMBL541185 | 0.65 | NOS1 (0.32) | — | |
| SCHEMBL12495247 | 0.65 | CA12 (0.33) | — | |
| SCHEMBL8427375 | 0.63 | CYP2A6 (0.31) | — | |
| SCHEMBL4296374 | 0.62 | — | — | |
| SCHEMBL7158779 | 0.62 | BCHE (0.31) | — |
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-1951678-A1 | PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007046550-A1 | PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-04-26 | — | — | WO | disclosed |