⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21784249 | 0.74 | PRKDC (0.39) | — | |
| SCHEMBL18619355 | 0.74 | ALOX5 (0.48) | — | |
| SCHEMBL20733733 | 0.74 | ALOX5 (0.30) | — | |
| SCHEMBL24889513 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL18731066 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL21913936 | 0.70 | — | — | |
| SCHEMBL10116937 | 0.70 | PRKDC (0.35) | — | |
| SCHEMBL22005386 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL25704985 | 0.69 | MAOA (0.41) | — | |
| SCHEMBL21391805 | 0.69 | LOXL2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017038728-A1 | COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2017-03-09 | — | — | WO | disclosed |