⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5398018 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL23652675 | 0.75 | KDM4E (0.34) | — | |
| SCHEMBL7076699 | 0.73 | KIF11 (0.31) | — | |
| SCHEMBL23652654 | 0.71 | HPGD (0.36) | — | |
| SCHEMBL28481076 | 0.70 | — | — | |
| SCHEMBL23664988 | 0.70 | — | — | |
| SCHEMBL4073084 | 0.68 | — | — | |
| SCHEMBL21251386 | 0.67 | — | — | |
| SCHEMBL21251401 | 0.65 | GAA (0.33) | — | |
| SCHEMBL21410208 | 0.65 | KDM4E (0.31) | — |
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-11228011-B2 | Ionic compound, coating composition comprising same, and organic light-emitting diode | LG CHEM, LTD. | 2022-01-18 | — | — | US | disclosed |