⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL65860 | 0.87 | ALDH1A1 (0.47) | — | |
| SCHEMBL17474716 | 0.87 | ALDH1A1 (0.47) | — | |
| SCHEMBL19605479 | 0.81 | — | — | |
| SCHEMBL726707 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL12541120 | 0.78 | TRPV1 (0.37) | — | |
| SCHEMBL23355256 | 0.78 | — | — | |
| SCHEMBL4823250 | 0.78 | — | — | |
| SCHEMBL29029416 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL18821148 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL20635248 | 0.77 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1141085-B1 | PROCESS FOR PARTIAL OXIDATION OF POLYOXYALKYLENE POLYOL COMPOSITIONS TO POLYCARBOXYLIC ACID COMPOSITIONS | RESOLUTION RES NEDERLAND BV (NL) | 2005-07-27 | — | — | EP | disclosed |