⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25516360 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL18473237 | 0.78 | — | — | |
| SCHEMBL13523460 | 0.72 | TDP2 (0.30) | — | |
| SCHEMBL16615164 | 0.70 | KIF11 (0.39) | — | |
| SCHEMBL13749783 | 0.69 | — | — | |
| SCHEMBL13749723 | 0.68 | PGR (0.30) | — | |
| SCHEMBL20313836 | 0.68 | TYMS (0.38) | — | |
| SCHEMBL21120543 | 0.67 | — | — | |
| SCHEMBL13618819 | 0.67 | — | — | |
| SCHEMBL22333824 | 0.66 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2023085789-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-05-19 | — | — | WO | disclosed |