⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL386034 | 0.81 | ADH1B (0.31) | — | |
| SCHEMBL385301 | 0.81 | ADH1B (0.31) | — | |
| SCHEMBL386615 | 0.81 | ADH1B (0.31) | — | |
| SCHEMBL385809 | 0.81 | — | — | |
| SCHEMBL18722027 | 0.76 | ADH1B (0.34) | — | |
| SCHEMBL384258 | 0.72 | — | — | |
| SCHEMBL7071835 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL19992493 | 0.72 | ADH1B (0.31) | — | |
| Methamoctol SCHEMBL13003427 | 0.69 | KCNH3 (0.41) | — | |
| SCHEMBL383726 | 0.67 | — | — |
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-20030236297-A1 | Amino alcohol derivatives | SANKYO COMPANY, LIMITED (JP) | 2003-12-25 | — | — | US | disclosed |