⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7156596 | 0.83 | BACE1 (0.38) | — | |
| SCHEMBL8407534 | 0.81 | — | — | |
| SCHEMBL7546958 | 0.73 | CYP11B1 (0.38) | — | |
| SCHEMBL7156760 | 0.73 | KMT2A (0.38) | — | |
| SCHEMBL8563280 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL7549940 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL7549909 | 0.68 | ALDH1A1 (0.49) | — | |
| SCHEMBL7153631 | 0.68 | KDM4E (0.38) | — | |
| SCHEMBL7155399 | 0.65 | NPC1 (0.60) | — | |
| SCHEMBL7153692 | 0.65 | NPC1 (0.48) | — |
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-0927167-A1 | 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1999-07-07 | — | — | EP | disclosed |
| WO-1998006703-A1 | 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1998-02-19 | — | — | WO | disclosed |