⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8606910 | 0.89 | — | — | |
| SCHEMBL8607315 | 0.85 | — | — | |
| SCHEMBL8607749 | 0.81 | PTGS1 (0.39) | — | |
| SCHEMBL8607000 | 0.80 | — | — | |
| SCHEMBL8607708 | 0.80 | ALDH1A2 (0.31) | — | |
| SCHEMBL8605674 | 0.80 | — | — | |
| SCHEMBL8607380 | 0.78 | TBXAS1 (0.30) | — | |
| SCHEMBL9753680 | 0.76 | — | — | |
| SCHEMBL8607082 | 0.76 | — | — | |
| SCHEMBL9753604 | 0.75 | — | — |
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-5716964-A | BRAIN DISORDERS; ANTIISCHEMIC AGENTS | G.D. SEARLE & CO. (US) | 1998-02-10 | — | — | US | disclosed |