⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11977703 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL18809003 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL24222431 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL3246112 | 0.68 | ALDH1A1 (0.48) | — | |
| SCHEMBL12560724 | 0.68 | MAPK1 (0.44) | — | |
| SCHEMBL30542930 | 0.68 | ALDH1A1 (0.48) | — | |
| SCHEMBL31146252 | 0.66 | ALDH1A1 (0.46) | — | |
| SCHEMBL12560695 | 0.66 | MAPK1 (0.43) | — | |
| SCHEMBL4264420 | 0.65 | POLB (0.34) | — | |
| SCHEMBL23635716 | 0.64 | ALDH1A1 (0.43) | — |
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-2669262-B1 | NOVEL ANTHRACENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME | JNC CORP (JP) | 2018-03-07 | — | — | EP | disclosed |