⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10713264 | 0.84 | — | — | |
| SCHEMBL8650783 | 0.84 | — | — | |
| SCHEMBL5675680 | 0.83 | — | — | |
| SCHEMBL30490439 | 0.81 | — | — | |
| SCHEMBL9108436 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL703870 | 0.77 | TYR (0.31) | — | |
| SCHEMBL140952 | 0.77 | — | — | |
| SCHEMBL23094088 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL93720 | 0.76 | — | — | |
| SCHEMBL8847328 | 0.75 | — | — |
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-0495269-B1 | Thermosetting reactive resin mixture, moulded article and coating made therefrom | DAINIPPON INK & CHEMICALS (JP) | 1997-03-05 | — | — | EP | claimed |