Chloropicrin

Chloropicrin

SCHEMBL28064282

O=S(=O)(O)Cl.O=[N+]([O-])C(Cl)(Cl)Cl

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Chloropicrin SCHEMBL604956 0.80 TSHR (1.00) TSHRALDH1A1TDP1CA5ACA5B
Chloropicrin SCHEMBL75169 0.80
Chloropicrin SCHEMBL195843 0.79 TSHR (0.69) TSHRALDH1A1TDP1
Nitric Acid SCHEMBL9085437 0.78
Chloropicrin SCHEMBL31207791 0.77
Chloropicrin SCHEMBL28145121 0.77
Chloropicrin SCHEMBL10611964 0.77
Chloropicrin SCHEMBL2554000 0.75 TSHR (0.73) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL4043838 0.73
Chloropicrin SCHEMBL4543212 0.71

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-103379823-B Compositions containing insecticide-Wax particles 拜耳知识产权有限责任公司 2016-06-29 CN disclosed