⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28113812 | 0.81 | XIAP (0.34) | — | |
| SCHEMBL28113788 | 0.76 | TDP1 (0.36) | — | |
| SCHEMBL1823503 | 0.58 | ALDH1A1 (0.60) | — | |
| SCHEMBL7674498 | 0.54 | MAPT (0.33) | — | |
| SCHEMBL4565340 | 0.54 | — | — | |
| SCHEMBL19628263 | 0.53 | ALDH1A1 (0.67) | — | |
| SCHEMBL4784115 | 0.53 | PTPRC (0.50) | — | |
| SCHEMBL28188488 | 0.52 | DHFR (0.33) | — | |
| SCHEMBL11017250 | 0.52 | ALDH1A1 (0.37) | — | |
| SCHEMBL11666449 | 0.52 | ALDH1A1 (0.32) | — |
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-106146367-A | Allyl sulfenyl amino 1,4-benzoquinone compounds, its preparation and application | 北京大学 | 2016-11-23 | — | — | CN | claimed |