⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9034260 | 0.91 | AGTR1 (0.59) | — | |
| SCHEMBL9033249 | 0.91 | AGTR1 (0.52) | — | |
| SCHEMBL9032073 | 0.90 | — | — | |
| SCHEMBL9033234 | 0.88 | AGTR1 (0.52) | — | |
| SCHEMBL9032091 | 0.88 | AGTR1 (0.60) | — | |
| SCHEMBL9031785 | 0.88 | AGTR1 (0.54) | — | |
| SCHEMBL9033470 | 0.87 | AGTR1 (0.55) | — | |
| SCHEMBL9033733 | 0.87 | AGTR1 (0.60) | — | |
| SCHEMBL9031470 | 0.86 | AGTR1 (0.55) | — | |
| SCHEMBL9031930 | 0.86 | — | — |
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-0412594-B1 | Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists | MERCK & CO INC (US) | 1996-01-03 | — | — | EP | disclosed |
| EP-0412594-A2 | Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists | MERCK & CO. INC. (US) | 1991-02-13 | — | — | EP | disclosed |