⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10737317 | 0.80 | — | — | |
| SCHEMBL6268922 | 0.75 | — | — | |
| SCHEMBL1547844 | 0.74 | SHBG (0.33) | — | |
| SCHEMBL4749332 | 0.74 | — | — | |
| SCHEMBL395882 | 0.74 | — | — | |
| SCHEMBL9427750 | 0.74 | CDC25A (0.36) | — | |
| SCHEMBL2102546 | 0.70 | — | — | |
| SCHEMBL9298809 | 0.70 | — | — | |
| SCHEMBL9431584 | 0.70 | — | — | |
| SCHEMBL1892264 | 0.69 | NOS3 (0.32) | — |
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-20110105573-A1 | BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF | WYETH | 2011-05-05 | — | — | US | disclosed |
| US-7732618-B2 | Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof | WYETH (US) | 2010-06-08 | — | — | US | disclosed |
| US-20060106081-A1 | Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof | WYETH | 2006-05-18 | — | — | US | disclosed |