⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21280869 | 0.81 | TTR (0.34) | — | |
| SCHEMBL23439843 | 0.75 | KDM4E (0.35) | — | |
| SCHEMBL20960207 | 0.67 | MCL1 (0.39) | — | |
| SCHEMBL12811435 | 0.66 | — | — | |
| SCHEMBL19502221 | 0.65 | MAOA (0.39) | — | |
| SCHEMBL30152053 | 0.65 | MAOA (0.39) | — | |
| SCHEMBL16021115 | 0.65 | MAPT (0.44) | — | |
| SCHEMBL2094331 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL31393601 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL12087692 | 0.61 | 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-3808744-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | LG CHEM, LTD. (KR) | 2021-04-21 | — | — | EP | disclosed |