⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9402208 | 0.92 | — | — | |
| SCHEMBL9402284 | 0.86 | AGTR1 (0.44) | — | |
| SCHEMBL9402277 | 0.85 | — | — | |
| SCHEMBL9402484 | 0.83 | — | — | |
| SCHEMBL9402243 | 0.78 | — | — | |
| SCHEMBL9402346 | 0.78 | — | — | |
| SCHEMBL9402215 | 0.77 | AGTR1 (0.45) | — | |
| SCHEMBL9402359 | 0.77 | — | — | |
| SCHEMBL9402348 | 0.77 | — | — | |
| SCHEMBL9402493 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5336778-A | Substituted triazoles as angiotensin II antagonists | MERCK & CO., INC. (US) | 1994-08-09 | — | — | US | disclosed |