Vinyl Chloride

Vinyl Chloride

SCHEMBL28866700

C=CCl.NS(=O)(=O)C(=O)O

nearest known ligand 0.35

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
FGFR4 P22455 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NT5E P21589 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2772640 0.80
Hydrochloric Acid SCHEMBL5155881 0.77
Carbamic Acid SCHEMBL27260221 0.74
Bicarbonate SCHEMBL95086 0.73
SCHEMBL9007389 0.71
Vinyl Chloride SCHEMBL27343432 0.70
Bicarbonate SCHEMBL28157906 0.70
Bicarbonate SCHEMBL29021093 0.70
Bicarbonate SCHEMBL28902426 0.70 LMNA (0.47) LMNATSHRALDH1A1FGFR4CA1
Bicarbonate SCHEMBL15142687 0.70

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071429-A Third pyridine sulfamide compound and its application method 正大天晴药业集团股份有限公司 2018-12-21 CN disclosed