⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24587571 | 0.79 | MKNK1 (0.31) | — | |
| SCHEMBL10027545 | 0.78 | KDM4E (0.42) | — | |
| SCHEMBL27469331 | 0.78 | CNR1 (0.34) | — | |
| SCHEMBL19360290 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL19711332 | 0.77 | PTGER4 (0.30) | — | |
| SCHEMBL23315030 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL24922993 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL22370029 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL20146099 | 0.76 | — | — | |
| SCHEMBL24487687 | 0.76 | KDM4E (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-2492987-B1 | ORGANIC ELECTROLUMINESCENT DEVICE | NIPPON STEEL & SUMIKIN CHEM CO (JP) | 2018-01-24 | — | — | EP | disclosed |