⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19789897 | 0.85 | GPR3 (0.34) | — | |
| SCHEMBL19849120 | 0.81 | — | — | |
| SCHEMBL26200649 | 0.80 | GPR3 (0.39) | — | |
| SCHEMBL19849118 | 0.77 | GPR3 (0.36) | — | |
| SCHEMBL25851467 | 0.76 | TOP2A (0.37) | — | |
| SCHEMBL25848469 | 0.75 | — | — | |
| SCHEMBL19154977 | 0.74 | GPR3 (0.44) | — | |
| SCHEMBL19789908 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL18874657 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL25851430 | 0.72 | TOP2A (0.35) | — |
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-2650941-B1 | ORGANIC ELECTROLUMINESCENT ELEMENT | NIPPON STEEL & SUMIKIN CHEM CO (JP) | 2018-01-24 | — | — | EP | disclosed |