⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4389375 | 0.82 | — | — | |
| SCHEMBL28150236 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL23104697 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL2627104 | 0.77 | — | — | |
| SCHEMBL6288733 | 0.76 | — | — | |
| SCHEMBL18884095 | 0.76 | — | — | |
| SCHEMBL29069529 | 0.76 | — | — | |
| SCHEMBL14261038 | 0.74 | — | — | |
| SCHEMBL6484627 | 0.74 | — | — | |
| SCHEMBL6135096 | 0.74 | DPP4 (0.40) | — |
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-6969712-B2 | Benzimidazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-11-29 | — | — | US | disclosed |
| US-20040044056-A1 | Benzimidazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-03-04 | — | — | US | disclosed |
| EP-1342717-A1 | BENZIMIDAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-09-10 | — | — | EP | disclosed |