⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14612097 | 0.71 | — | — | |
| SCHEMBL2459269 | 0.69 | — | — | |
| SCHEMBL4666118 | 0.69 | — | — | |
| SCHEMBL16118424 | 0.67 | — | — | |
| SCHEMBL9410113 | 0.65 | — | — | |
| SCHEMBL10022031 | 0.65 | — | — | |
| SCHEMBL9410144 | 0.65 | — | — | |
| SCHEMBL4666505 | 0.65 | — | — | |
| SCHEMBL9410118 | 0.65 | — | — | |
| SCHEMBL12061364 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2203427-A2 | 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS | Abbott Healthcare Products B.V. (NL) | 2010-07-07 | — | — | EP | claimed |
| WO-2009037244-A2 | 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS | SOLVAY PHARMACEUTICALS B.V. (NL) | 2009-03-26 | — | — | WO | claimed |
| EP-0600147-A1 | Tetralones with pharmacological activity, compositions containing them and process for their preparation | J. URIACH & CIA. S.A. (ES) | 1994-06-08 | — | — | EP | disclosed |