⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1378126 | 1.00 | — | — | |
| SCHEMBL295699 | 0.82 | — | — | |
| SCHEMBL168567 | 0.78 | — | — | |
| SCHEMBL4733794 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL4261212 | 0.74 | — | — | |
| SCHEMBL12489061 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL6951097 | 0.67 | — | — | |
| SCHEMBL721945 | 0.67 | — | — | |
| SCHEMBL27322847 | 0.67 | — | — | |
| SCHEMBL1259836 | 0.67 | — | — |
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-1569912-A2 | 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004050637-A2 | 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-17 | — | — | WO | disclosed |