⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8443066 | 0.83 | — | — | |
| SCHEMBL8439420 | 0.83 | — | — | |
| SCHEMBL8439537 | 0.82 | — | — | |
| SCHEMBL8112480 | 0.79 | — | — | |
| SCHEMBL8111388 | 0.78 | — | — | |
| SCHEMBL8111780 | 0.77 | ACHE (0.53) | — | |
| SCHEMBL8110849 | 0.76 | ALDH1A1 (0.52) | — | |
| SCHEMBL8439337 | 0.76 | — | — | |
| SCHEMBL8633212 | 0.76 | — | — | |
| Bromide SCHEMBL8117239 | 0.76 | ACHE (0.52) | — |
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-5998452-A | CARDIOVASCULAR DISORDERS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1999-12-07 | — | — | US | disclosed |
| EP-0799614-A1 | REMEDY FOR ISCHEMIC DISEASES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1997-10-08 | — | — | EP | disclosed |