⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13348520 | 0.89 | — | — | |
| SCHEMBL20208904 | 0.87 | PDK2 (0.33) | — | |
| SCHEMBL26444920 | 0.87 | PDK2 (0.33) | — | |
| SCHEMBL12325575 | 0.85 | — | — | |
| SCHEMBL20208906 | 0.85 | PGR (0.33) | — | |
| SCHEMBL29706020 | 0.85 | PGR (0.33) | — | |
| SCHEMBL20198001 | 0.85 | — | — | |
| SCHEMBL25561269 | 0.84 | PDK2 (0.31) | — | |
| SCHEMBL13082106 | 0.83 | — | — | |
| SCHEMBL9886721 | 0.82 | PDK2 (0.32) | — |
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-2024071860-A1 | INK COMPOSITION, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR | 주식회사 엘지화학 | 2024-04-04 | — | — | WO | disclosed |