⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26950187 | 0.95 | KDM4E (0.30) | — | |
| SCHEMBL26946452 | 0.92 | — | — | |
| SCHEMBL26952174 | 0.91 | — | — | |
| SCHEMBL26951271 | 0.89 | — | — | |
| SCHEMBL26950921 | 0.88 | — | — | |
| SCHEMBL26951698 | 0.88 | — | — | |
| SCHEMBL26951369 | 0.86 | ESR1 (0.30) | — | |
| SCHEMBL26951638 | 0.86 | RXRA (0.30) | — | |
| SCHEMBL26949622 | 0.85 | — | — | |
| SCHEMBL26950294 | 0.84 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| WO-2023239092-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2023-12-14 | — | — | WO | disclosed |