⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1799184 | 0.84 | TP53 (0.41) | — | |
| SCHEMBL28980 | 0.79 | — | — | |
| SCHEMBL1799185 | 0.73 | ALOX5 (0.43) | — | |
| SCHEMBL1501945 | 0.69 | — | — | |
| SCHEMBL187001 | 0.69 | — | — | |
| SCHEMBL1046055 | 0.69 | — | — | |
| SCHEMBL3652707 | 0.69 | — | — | |
| SCHEMBL5517928 | 0.69 | ALOX5 (0.44) | — | |
| SCHEMBL11262272 | 0.69 | — | — | |
| SCHEMBL2983958 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190031618-A1 | BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2019-01-31 | — | — | US | disclosed |
| US-10118900-B2 | Benzimidazole derivatives useful as CB-1 inverse agonists | JANSSEN PHARMACEUTICA NV (BE) | 2018-11-06 | — | — | US | disclosed |
| US-20170057929-A1 | BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2017-03-02 | — | — | US | disclosed |