⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28305120 | 0.79 | — | — | |
| SCHEMBL28058456 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL28058452 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL28248816 | 0.74 | — | — | |
| SCHEMBL28058455 | 0.73 | — | — | |
| SCHEMBL27837877 | 0.73 | — | — | |
| SCHEMBL28305107 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL28305105 | 0.69 | — | — | |
| SCHEMBL28305129 | 0.67 | — | — | |
| SCHEMBL27459564 | 0.61 | — | — |
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-A | Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides | BAYER CROPSCIENCE AG | 2016-04-06 | — | — | CN | disclosed |