⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9590973 | 0.92 | — | — | |
| SCHEMBL9592176 | 0.90 | PDE4A (0.48) | — | |
| SCHEMBL9592404 | 0.86 | NPC1 (0.45) | — | |
| SCHEMBL9592770 | 0.86 | AGTR1 (0.39) | — | |
| SCHEMBL9590479 | 0.84 | — | — | |
| SCHEMBL9591907 | 0.83 | PDE4A (0.52) | — | |
| SCHEMBL9592146 | 0.83 | — | — | |
| SCHEMBL9591861 | 0.83 | AGTR1 (0.44) | — | |
| SCHEMBL9590508 | 0.82 | AGTR1 (0.45) | — | |
| SCHEMBL9592046 | 0.81 | PDE4A (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 |