⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24315410 | 0.92 | HCRTR1 (0.31) | — | |
| SCHEMBL24357034 | 0.91 | PRKDC (0.31) | — | |
| SCHEMBL24907606 | 0.91 | PLA2G2A (0.32) | — | |
| SCHEMBL24972794 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL24658032 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL26893675 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL24973163 | 0.87 | MAPK1 (0.30) | — | |
| SCHEMBL24656699 | 0.87 | PLA2G2A (0.32) | — | |
| SCHEMBL26328650 | 0.86 | CYP1A1 (0.33) | — | |
| SCHEMBL26049182 | 0.86 | 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-2023132694-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2023-07-13 | — | — | WO | disclosed |