⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24972411 | 0.92 | ADORA3 (0.31) | — | |
| SCHEMBL25651615 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL25653666 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL24972728 | 0.85 | BACE1 (0.30) | — | |
| SCHEMBL27371182 | 0.84 | — | — | |
| SCHEMBL26895422 | 0.78 | ALOX5 (0.33) | — | |
| SCHEMBL17524781 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL26894486 | 0.75 | — | — | |
| SCHEMBL24314933 | 0.75 | MAPT (0.31) | — | |
| SCHEMBL25117529 | 0.75 | TSHR (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-2024049159-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2024-03-07 | — | — | WO | disclosed |