⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4089241 | 0.90 | PRKDC (0.33) | — | |
| SCHEMBL30646703 | 0.90 | PRKDC (0.33) | — | |
| SCHEMBL24425479 | 0.88 | ALOX5 (0.31) | — | |
| SCHEMBL24425460 | 0.86 | MEN1 (0.30) | — | |
| SCHEMBL20779959 | 0.86 | CYP1A1 (0.32) | — | |
| SCHEMBL24425474 | 0.86 | — | — | |
| SCHEMBL21098950 | 0.85 | CYP1A2 (0.34) | — | |
| SCHEMBL18416104 | 0.84 | PRKDC (0.33) | — | |
| SCHEMBL4089097 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL15461348 | 0.84 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11335859-B2 | Compound, coating composition comprising same, and organic light emitting element comprising same | LG CHEM, LTD. | 2022-05-17 | — | — | US | disclosed |