⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10027545 | 0.77 | KDM4E (0.42) | — | |
| SCHEMBL19790964 | 0.76 | — | — | |
| SCHEMBL21953157 | 0.76 | KDM4E (0.40) | — | |
| SCHEMBL23315014 | 0.75 | — | — | |
| SCHEMBL21035565 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL24521419 | 0.73 | KDM4E (0.40) | — | |
| SCHEMBL12036302 | 0.72 | ALKBH5 (0.51) | — | |
| SCHEMBL10027547 | 0.72 | DUSP3 (0.38) | — | |
| SCHEMBL21912872 | 0.70 | GPR3 (0.42) | — | |
| SCHEMBL10027536 | 0.70 | L3MBTL1 (0.53) | — |
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-2415772-B1 | MATERIAL FOR USE IN PHOSPHORESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | NIPPON STEEL & SUMIKIN CHEM CO (JP) | 2018-05-16 | — | — | EP | disclosed |