⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11245401 | 1.00 | — | — | |
| SCHEMBL11245403 | 1.00 | — | — | |
| SCHEMBL10966985 | 0.85 | PTGIR (0.35) | — | |
| SCHEMBL11238832 | 0.85 | PTGIR (0.35) | — | |
| SCHEMBL10966974 | 0.85 | PTGIR (0.35) | — | |
| SCHEMBL10966980 | 0.85 | PTGIR (0.35) | — | |
| SCHEMBL11046420 | 0.84 | PDE4D (0.37) | — | |
| SCHEMBL11046421 | 0.84 | PDE4D (0.37) | — | |
| SCHEMBL11398615 | 0.84 | PDE4D (0.37) | — | |
| SCHEMBL11066490 | 0.83 | PTGIR (0.34) | — |
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-4315032-A | ANTITHROMBOGENIC AGENTS, ANTIULCER AGENTS | TEITIN LIMITED (JP) | 1982-02-09 | — | — | US | disclosed |