⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL188215 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL5597326 | 0.75 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL5379127 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL187736 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL229764 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL27883755 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL29152619 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL28515488 | 0.70 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL231272 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL4534540 | 0.70 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| CN-117099481-A | Organic EL display device | 东洋油墨SC控股株式会社 | 2023-11-21 | — | — | CN | disclosed |