⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9194238 | 0.94 | — | — | |
| SCHEMBL9198429 | 0.93 | — | — | |
| SCHEMBL9193419 | 0.93 | — | — | |
| SCHEMBL9197514 | 0.92 | — | — | |
| SCHEMBL9197642 | 0.92 | — | — | |
| SCHEMBL9194756 | 0.92 | AGTR2 (0.52) | — | |
| SCHEMBL9199657 | 0.91 | — | — | |
| SCHEMBL9196961 | 0.91 | — | — | |
| SCHEMBL683312 | 0.90 | ABCB11 (0.51) | — | |
| SCHEMBL9198423 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0425921-B1 | Benzimidazole derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-08-09 | — | — | EP | disclosed |
| US-5128356-A | Angiotensin antagonist; cardiovascular disorders | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-07-07 | — | — | US | disclosed |
| EP-0425921-A1 | Benzimidazole derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-05-08 | — | — | EP | disclosed |