SCHEMBL8219079

SCHEMBL8219079

C=C(CCC)C(=O)OCCl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ALDH1A1 P00352 3/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
THRB P10828 1/20 0.31
TP53 P04637 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL11855640 0.88 ALDH1A1 (0.41) TSHRALDH1A1CES2CES1TP53
SCHEMBL28005418 0.86 TSHR (0.43) TSHRALDH1A1CES2CES1
SCHEMBL3423721 0.82 THRB (0.47) TSHRALDH1A1CES2CES1HDAC3
SCHEMBL7131449 0.82
SCHEMBL375086 0.82 ALDH1A1 (0.48) TSHRALDH1A1CES2CES1HDAC3
SCHEMBL3476011 0.80 TSHR (0.44) TSHRALDH1A1CES2CES1HDAC3
SCHEMBL5297552 0.80 ALDH1A1 (0.37) TSHRALDH1A1CES2CES1HDAC3
SCHEMBL27529430 0.80 ALDH1A1 (0.37) TSHRALDH1A1CES2CES1HDAC3
SCHEMBL4598653 0.79 APOBEC3A (0.36) TSHRALDH1A1
SCHEMBL7216945 0.78

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775165-A1 DADMAC/VINYL TRIALKOXYSILANE COPOLYMERS AND THEIR USE IN WASTEWATER TREATMENT NALCO CHEMICAL COMPANY (US) 1997-05-28 EP claimed
WO-1996035731-A1 DADMAC/VINYL TRIALKOXYSILANE COPOLYMERS AND THEIR USE IN WASTEWATER TREATMENT NALCO CHEMICAL COMPANY (DE) 1996-11-14 WO claimed
CN-102482619-B Cationic polymer thickeners S.P.C.M. S.A. (FR) 2016-04-20 CN disclosed
EP-0775165-B1 DADMAC/VINYL TRIALKOXYSILANE COPOLYMERS AND THEIR USE IN WASTEWATER TREATMENT NALCO CHEMICAL CO (US) 2000-01-05 EP disclosed
EP-0775165-A1 DADMAC/VINYL TRIALKOXYSILANE COPOLYMERS AND THEIR USE IN WASTEWATER TREATMENT NALCO CHEMICAL COMPANY (US) 1997-05-28 EP disclosed
WO-1996035731-A1 DADMAC/VINYL TRIALKOXYSILANE COPOLYMERS AND THEIR USE IN WASTEWATER TREATMENT NALCO CHEMICAL COMPANY (DE) 1996-11-14 WO disclosed