⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8670495 | 0.77 | ALOX5 (0.43) | — | |
| SCHEMBL454511 | 0.72 | — | — | |
| SCHEMBL656544 | 0.72 | — | — | |
| SCHEMBL3387878 | 0.72 | — | — | |
| SCHEMBL454512 | 0.72 | — | — | |
| SCHEMBL451192 | 0.72 | — | — | |
| SCHEMBL917621 | 0.72 | — | — | |
| SCHEMBL171169 | 0.72 | — | — | |
| SCHEMBL2840244 | 0.72 | — | — | |
| SCHEMBL357256 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008039023-A1 | HETEROARYL-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS | GREEN CROSS CORPORATION (KR) | 2008-04-03 | — | — | WO | disclosed |