⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2067533 | 0.95 | PAK1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL2068383 | 0.93 | HCRTR1 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL2068015 | 0.92 | GPR6 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL2068372 | 0.91 | NPC1 (0.39) | — | |
| SCHEMBL2067014 | 0.87 | HCRTR1 (0.41) | — | |
| SCHEMBL2067229 | 0.86 | FPR1 (0.43) | — | |
| SCHEMBL2067808 | 0.85 | PAK1 (0.40) | — | |
| SCHEMBL2067565 | 0.85 | NPC1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL2068492 | 0.84 | PAK1 (0.39) | — | |
| SCHEMBL2068354 | 0.81 | EPHX2 (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2170860-B9 | BENZIMIDAZOLE DERIVATIVES | PFIZER (US) | 2017-02-22 | — | — | EP | disclosed |
| EP-2170860-B1 | BENZIMIDAZOLE DERIVATIVES | PFIZER (US) | 2016-11-02 | — | — | EP | disclosed |
| US-8148401-B2 | Benzimidazole derivatives | PFIZER INC. (US) | 2012-04-03 | — | — | US | disclosed |
| US-20090005416-A1 | BENZIMIDAZOLE DERIVATIVES | PFIZER INC. | 2009-01-01 | — | — | US | disclosed |