⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7411417 | 0.93 | — | — | |
| SCHEMBL7404978 | 0.93 | PDE6D (0.53) | — | |
| SCHEMBL7404536 | 0.90 | AGTR2 (0.55) | — | |
| SCHEMBL7407139 | 0.89 | ALDH1A1 (0.51) | — | |
| SCHEMBL7419746 | 0.87 | AGTR1 (0.60) | — | |
| SCHEMBL9525475 | 0.86 | PDE6D (0.53) | — | |
| SCHEMBL7415512 | 0.86 | — | — | |
| SCHEMBL7418573 | 0.85 | AGTR2 (0.48) | — | |
| SCHEMBL7416604 | 0.85 | PDE6D (0.50) | — | |
| SCHEMBL7415157 | 0.84 | AGTR2 (0.52) | — |
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-0515546-A4 | TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT | — | 1993-05-12 | — | — | EP | disclosed |
| US-5177095-A | Hypotensive agents | MERCK & CO., INC. (US) | 1993-01-05 | — | — | US | disclosed |
| EP-0515546-A1 | TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT | MERCK & CO. INC. (US) | 1992-12-02 | — | — | EP | disclosed |
| WO-1991011909-A1 | TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT | MERCK & CO., INC. (US) | 1991-08-22 | — | — | WO | disclosed |