⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29199199 | 0.63 | — | — | |
| SCHEMBL73933 | 0.55 | — | — | |
| SCHEMBL19127368 | 0.55 | ENPP2 (0.33) | — | |
| SCHEMBL3082762 | 0.54 | NPC1 (0.42) | — | |
| SCHEMBL2106503 | 0.53 | — | — | |
| Potassium SCHEMBL29550261 | 0.53 | — | — | |
| SCHEMBL8050156 | 0.52 | CHRM1 (0.34) | — | |
| SCHEMBL28836867 | 0.52 | — | — | |
| Hydroxyamine SCHEMBL6622692 | 0.51 | — | — | |
| SCHEMBL486106 | 0.50 | — | — |
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-5278158-A | Heteropolycyclic pyridyl or pyridyl oxide | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1994-01-11 | — | — | US | disclosed |