⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13716137 | 0.60 | — | — | |
| SCHEMBL13678920 | 0.59 | KMT2A (0.55) | — | |
| Methyl Alcohol SCHEMBL29048104 | 0.57 | AURKA (0.32) | — | |
| Benzoquinone SCHEMBL27546559 | 0.57 | TDP1 (0.61) | — | |
| SCHEMBL28498261 | 0.57 | CDC25B (0.45) | — | |
| SCHEMBL29280756 | 0.55 | PIM1 (0.34) | — | |
| SCHEMBL11664840 | 0.55 | — | — | |
| Benzoquinone SCHEMBL9457254 | 0.55 | TDP1 (0.73) | — | |
| SCHEMBL6265959 | 0.52 | MAOA (0.37) | — | |
| SCHEMBL14256585 | 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 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 |