⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11876812 | 0.71 | CES1 (0.52) | — | |
| SCHEMBL7648836 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL13167192 | 0.67 | — | — | |
| SCHEMBL12085737 | 0.64 | — | — | |
| SCHEMBL4105554 | 0.61 | — | — | |
| SCHEMBL6837311 | 0.61 | MAP1LC3B (0.47) | — | |
| SCHEMBL4154670 | 0.61 | — | — | |
| SCHEMBL17585991 | 0.61 | — | — | |
| SCHEMBL4154668 | 0.61 | — | — | |
| SCHEMBL2225759 | 0.61 | — | — |
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-0957398-B1 | Thermographic recording element | FUJIFILM CORP (JP) | 2009-08-05 | — | — | EP | disclosed |