⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9193758 | 0.95 | PPARG (0.49) | — | |
| SCHEMBL9192146 | 0.92 | AGTR1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL9443049 | 0.89 | AGTR1 (0.51) | — | |
| SCHEMBL905714 | 0.88 | AGTR2 (0.62) | — | |
| SCHEMBL9194310 | 0.87 | AGTR2 (0.61) | — | |
| SCHEMBL9194328 | 0.87 | AGTR2 (0.61) | — | |
| SCHEMBL9195963 | 0.87 | AGTR2 (0.61) | — | |
| SCHEMBL9191900 | 0.86 | AGTR1 (0.53) | — | |
| SCHEMBL7463829 | 0.86 | ABCB11 (0.50) | — | |
| SCHEMBL2773417 | 0.86 | AGTR2 (0.57) | — |
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-0546358-B1 | Pharmaceutical compositions with angiotensin-II-antagonistic activity | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-08-27 | — | — | EP | claimed |
| EP-0425921-B1 | Benzimidazole derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-08-09 | — | — | EP | claimed |