⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16322345 | 0.77 | — | — | |
| SCHEMBL8244260 | 0.75 | SLC6A2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL7367954 | 0.74 | SLC6A2 (0.38) | — | |
| SCHEMBL27659611 | 0.69 | IDO1 (0.32) | — | |
| SCHEMBL27668934 | 0.67 | PNMT (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL4598196 | 0.67 | KDM4E (0.36) | — | |
| SCHEMBL1008705 | 0.66 | — | — | |
| SCHEMBL7427540 | 0.66 | — | — | |
| SCHEMBL27719883 | 0.66 | IDO1 (0.36) | — | |
| SCHEMBL27621474 | 0.65 | LOXL2 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105722830-B | Aryl thioethers derivative and aryl sulfoxid es derivative as acaricide and insecticide | 拜耳作物科学股份公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-105722830-A | Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides | 拜耳作物科学股份公司 | 2016-06-29 | — | — | CN | disclosed |