SCHEMBL8719451

SCHEMBL8719451

[CH2]C(COCC)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRKCA P17252 2/20 0.31
ALOX15 P16050 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
SCHEMBL9133399 0.83 HSD17B10 (0.43) TSHRALDH1A1HSD17B10TDP1PRKCA
SCHEMBL9345292 0.80 ALDH1A1 (0.45) TSHRALDH1A1PRKCAALOX15
SCHEMBL19093020 0.78 CA1 (0.41) TSHRALDH1A1LMNATDP1CHRM2
SCHEMBL10660761 0.77 PLA2G2C (0.50) TSHR
SCHEMBL16587942 0.77 PRKCA (0.43) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL2100144 0.77
SCHEMBL20599585 0.77
SCHEMBL20599618 0.77
SCHEMBL3218918 0.77 TDP1 (0.52) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL126712 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760196-A PRINTING AND DYEING HYDROPHOBIC FIBERS OF POLYESTERS FOR COLORFASTNESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-06-02 US disclosed
EP-0727464-A2 Monoazo compounds and methods for dyeing or printing hydrophobic fiber materials using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-08-21 EP disclosed
US-5428138-A Colorfastness, washfastness, pH sensitivity CASSELLA AG (DE) 1995-06-27 US disclosed
CN-1096522-A Dicyanophenylazoanildyes dyes BASF AG (DE) 1994-12-21 CN disclosed
EP-0391121-B1 Monoazo dyes, their preparation and use CASSELLA FARBWERKE MAINKUR AG (DE) 1994-11-23 EP disclosed
EP-0387642-B1 Mixture of dyes CASSELLA FARBWERKE MAINKUR AG (DE) 1994-07-27 EP disclosed
EP-0222255-B1 MIXTURES OF BLUE DISPERSE DYES AND THEIR USE IN DYEING POLYESTERS CASSELLA Aktiengesellschaft (DE) 1992-08-26 EP disclosed
US-RE33908-E Mixtures of blue mono-azo disperse dyestuffs and their use for dyeing polyester CASSELLA AKTIENGESELLSCHAFT (DE) 1992-05-05 US disclosed
US-5071443-A BLUE AZO DYESTUFF MIXTURE FOR STRONG BLUE COLOR ON HYDROPHOBIC FIBERS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0387642-A2 Mixture of dyes CASSELLA Aktiengesellschaft (DE) 1990-09-19 EP disclosed
US-4678476-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1987-07-07 US disclosed
EP-0222255-A2 Mixtures of blue disperse dyes and their use in dyeing polyesters CASSELLA Aktiengesellschaft (DE) 1987-05-20 EP disclosed