⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9709742 | 0.98 | — | — | |
| SCHEMBL9709521 | 0.95 | PDE4A (0.43) | — | |
| SCHEMBL9709653 | 0.92 | DHODH (0.41) | — | |
| SCHEMBL9709728 | 0.89 | PDE4A (0.42) | — | |
| SCHEMBL9709598 | 0.87 | PLA2G2A (0.43) | — | |
| SCHEMBL9709539 | 0.87 | PDE4A (0.41) | — | |
| SCHEMBL9709489 | 0.84 | PDE4A (0.45) | — | |
| SCHEMBL9709672 | 0.84 | DHODH (0.40) | — | |
| SCHEMBL9846053 | 0.81 | — | — | |
| SCHEMBL9754267 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5157040-A | Treatment of hypertension, ocular hypertension and some CNS disorders | MERCK & CO., INC. (US) | 1992-10-20 | — | — | US | disclosed |
| EP-0507594-A1 | Substituted quinolines as angiotensin II antagonists | MERCK & CO. INC. (US) | 1992-10-07 | — | — | EP | disclosed |