⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2898642 | 0.76 | GAA (0.30) | — | |
| SCHEMBL4329317 | 0.64 | — | — | |
| SCHEMBL22219414 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL13857660 | 0.59 | — | — | |
| SCHEMBL27851811 | 0.59 | — | — | |
| SCHEMBL9800241 | 0.57 | ENO1 (0.34) | — | |
| SCHEMBL10260756 | 0.55 | — | — | |
| SCHEMBL6848656 | 0.55 | — | — | |
| SCHEMBL28277841 | 0.55 | GAA (0.37) | — | |
| SCHEMBL19066810 | 0.52 | — | — |
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-111303208-B | Hindered amine light stabilizer with antibacterial function and preparation method thereof | 烟台大学 | 2023-03-31 | — | — | CN | disclosed |