⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25756748 | 0.82 | HTR2A (0.33) | — | |
| SCHEMBL19789714 | 0.75 | — | — | |
| SCHEMBL27059102 | 0.71 | — | — | |
| SCHEMBL19154977 | 0.68 | GPR3 (0.44) | — | |
| SCHEMBL18436869 | 0.67 | KDM4E (0.46) | — | |
| SCHEMBL18874657 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL20309470 | 0.66 | KDM4E (0.33) | — | |
| SCHEMBL18626392 | 0.65 | LMNA (0.44) | — | |
| SCHEMBL13709331 | 0.65 | KDM4E (0.40) | — | |
| SCHEMBL17676356 | 0.64 | KDM4E (0.31) | — |
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-3279961-B1 | ORGANIC ELECTROLUMINESCENT ELEMENT | NIPPON STEEL CHEMICAL & MAT CO LTD (JP) | 2023-07-19 | — | — | EP | disclosed |