⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL922639 | 0.93 | CNR2 (0.60) | — | |
| SCHEMBL923540 | 0.92 | CNR1 (0.60) | — | |
| SCHEMBL924061 | 0.85 | CNR2 (0.58) | — | |
| SCHEMBL922693 | 0.85 | CNR2 (0.59) | — | |
| SCHEMBL924202 | 0.84 | P2RX7 (0.56) | — | |
| SCHEMBL922795 | 0.84 | CNR1 (0.55) | — | |
| SCHEMBL923253 | 0.84 | — | — | |
| SCHEMBL923182 | 0.83 | — | — | |
| SCHEMBL922959 | 0.82 | CNR2 (0.57) | — | |
| SCHEMBL922826 | 0.82 | — | — |
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-2097410-A1 | HETEROARYL-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS | Green Cross Corporation (KR) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008039023-A1 | HETEROARYL-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS | GREEN CROSS CORPORATION (KR) | 2008-04-03 | — | — | WO | disclosed |