⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2645701 | 0.94 | HPGD (0.30) | — | |
| SCHEMBL3459371 | 0.85 | CHRNB2 (0.31) | — | |
| SCHEMBL7246530 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL7455743 | 0.77 | PREP (0.45) | — | |
| SCHEMBL1206985 | 0.73 | — | — | |
| SCHEMBL22682925 | 0.72 | KMT2A (0.37) | — | |
| SCHEMBL6121191 | 0.72 | ABL1 (0.40) | — | |
| SCHEMBL5025313 | 0.70 | — | — | |
| SCHEMBL2645265 | 0.69 | DPP4 (0.42) | — | |
| SCHEMBL360939 | 0.68 | — | — |
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-1702919-B1 | NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE | MSD KK (JP) | 2012-05-30 | — | — | EP | disclosed |
| US-7728025-B2 | 2-heteroaryl-substituted benzimidazole derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-06-01 | — | — | US | disclosed |
| US-20080070928-A1 | Novel 2-Heteroaryl-Substituted Benzimidazole Derivative | MSD K.K. (JP) | 2008-03-20 | — | — | US | disclosed |
| EP-1702919-A1 | NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-09-20 | — | — | EP | disclosed |