⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24225 | 0.81 | — | — | |
| Bromide SCHEMBL15746787 | 0.78 | — | — | |
| SCHEMBL28357962 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29735986 | 0.78 | — | — | |
| SCHEMBL29245410 | 0.78 | HCAR2 (0.50) | — | |
| Bromide SCHEMBL5328785 | 0.78 | HCAR2 (0.50) | — | |
| SCHEMBL29735836 | 0.78 | — | — | |
| SCHEMBL4556909 | 0.74 | — | — | |
| SCHEMBL3423606 | 0.73 | CYP2A6 (0.61) | — | |
| Cyclopropane SCHEMBL6114982 | 0.73 | HCAR2 (0.46) | — |
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 |