⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9593124 | 0.93 | AGTR1 (0.44) | — | |
| SCHEMBL9590350 | 0.92 | — | — | |
| SCHEMBL9593094 | 0.92 | AGTR1 (0.44) | — | |
| SCHEMBL9591284 | 0.92 | AGTR1 (0.44) | — | |
| SCHEMBL9593081 | 0.90 | AGTR1 (0.46) | — | |
| SCHEMBL9592185 | 0.90 | — | — | |
| SCHEMBL9592227 | 0.89 | AGTR1 (0.50) | — | |
| SCHEMBL9590206 | 0.88 | — | — | |
| SCHEMBL9590540 | 0.82 | AGTR1 (0.52) | — | |
| SCHEMBL9591929 | 0.82 | EDNRA (0.47) | — |
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-5264439-A | Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element | MERCK & CO., INC. (US) | 1993-11-23 | — | — | US | disclosed |