SCHEMBL28587461

SCHEMBL28587461

ClC(Cl)(Cl)C(Cl)(Cl)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
NOS1 P29475 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FBP1 P09467 3/20 0.36
PDK1 Q15118 1/20 0.36
AR P10275 1/20 0.32
PDPK1 O15530 1/20 0.31
MAPT P10636 1/20 0.31
ALOX5 P09917 1/20 0.31
FDPS P14324 1/20 0.31

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
Hydrochloric Acid SCHEMBL28588894 0.98 ALDH1A1 (0.37) ALDH1A1TSHRNOS1HSD17B10FBP1
SCHEMBL27591639 0.74
SCHEMBL27558708 0.72
SCHEMBL577437 0.70
SCHEMBL684232 0.70
SCHEMBL9372859 0.68
SCHEMBL14152670 0.68
SCHEMBL31478751 0.67 ALDH1A1 (0.39) ALDH1A1TSHRNOS1HSD17B10FBP1
SCHEMBL20921140 0.67
SCHEMBL21169264 0.67

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-213527494-U Rectifying equipment for purifying dichloro pentachloromethyl thiazole 怀仁市普惠生物科技有限公司 2021-06-25 CN disclosed