⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13859277 | 0.72 | L3MBTL1 (0.35) | — | |
| SCHEMBL26677520 | 0.72 | — | — | |
| SCHEMBL9258876 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL21533343 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL4591185 | 0.70 | TRIM24 (0.40) | — | |
| SCHEMBL20602053 | 0.70 | TRIM24 (0.40) | — | |
| SCHEMBL10387554 | 0.70 | RXRA (0.32) | — | |
| SCHEMBL12356952 | 0.70 | GABRA1 (0.46) | — | |
| SCHEMBL2311541 | 0.69 | TDP1 (0.41) | — | |
| SCHEMBL1920603 | 0.68 | HCAR2 (0.37) | — |
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-1583742-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004060870-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | WO | disclosed |