⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27475803 | 0.68 | — | — | |
| SCHEMBL28152995 | 0.68 | — | — | |
| SCHEMBL27640373 | 0.66 | TDP1 (0.36) | — | |
| SCHEMBL27818249 | 0.65 | — | — | |
| SCHEMBL27640364 | 0.64 | MAPT (0.38) | — | |
| SCHEMBL28287665 | 0.64 | — | — | |
| SCHEMBL27289578 | 0.62 | SORT1 (0.36) | — | |
| SCHEMBL27621423 | 0.62 | MGLL (0.35) | — | |
| SCHEMBL27418186 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL27667875 | 0.59 | — | — |
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-105473558-B | Aromatic yl sulfide derivative and aryl oxysulfide derivative as acaricide and insecticide | 拜耳作物科学股份公司 | 2019-04-19 | — | — | CN | disclosed |