SCHEMBL5711986

SCHEMBL5711986

CC(=O)OCCS(=O)(=O)CCOC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR1A P08908 1/20 0.46
CHRNB2 P17787 1/20 0.46
TBXA2R P21731 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
TSHR P16473 1/20 0.46
GALR3 O60755 2/20 0.44
CA2 P00918 2/20 0.44

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
SCHEMBL15223838 0.91 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL8432970 0.91 ALDH1A1 (0.41) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL4075685 0.90 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL10418346 0.89 CA2 (0.42) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL13901841 0.89 ALDH1A1 (0.40) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL14079443 0.86 ALDH1A1 (0.41) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL9622213 0.85 ALDH1A1 (0.42) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL12891194 0.84 POLB (0.48) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL15529456 0.84 APEX1 (0.45) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL10203123 0.84 ALDH1A1 (0.55) ALDH1A1TSHRCA2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071727-A1 REACTIVE BLUE DYES CONTAINING MONOCHLOROTRIAZINE AND ACETOXYETHYL SULFONE GROUPS Korea Research Institute of Chemical Technology (KR) 2001-01-31 EP claimed
EP-1066349-A1 REACTIVE BLACK DYES CONTAINING ACETOXYETHYL SULFONE MOIETY Korea Research Institute of Chemical Technology (KR) 2001-01-10 EP claimed
EP-1066344-A1 REACTIVE RED DYES CONTAINING MONOCHLOROTRIAZINE AND ACETOXYETHYL SULFONE GROUPS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-01-10 EP claimed
WO-1999048983-A1 REACTIVE RED DYES CONTAINING MONOCHLOROTRIAZINE AND ACETOXYETHYL SULFONE GROUPS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-09-30 WO claimed
WO-1999048984-A1 REACTIVE BLUE DYES CONTAINING MONOCHLOROTRIAZINE AND ACETOXYETHYL SULFONE GROUPS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-09-30 WO claimed
WO-1999048986-A1 REACTIVE BLACK DYES CONTAINING ACETOXYETHYL SULFONE MOIETY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-09-30 WO claimed
JP-57007463-A None JP disclosed
EP-1352032-B1 DISPERS-REACTIVE DYES CONTAINING ACETOXYMETHYLSULFONE OR VINYLSULFONE AND THEIR PROCESS KOREA RES INST CHEM TECH (KR) 2006-11-02 EP disclosed
US-6884876-B2 Disperse-reactive dyes containing acetoxyethylsulfone or vinylsulfone and their process KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-04-26 US disclosed
US-20040077846-A1 Dispers-reactive dyes containing acetoxymethylsulfone or vinylsulfone and their process KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-04-22 US disclosed
EP-1352032-A1 DISPERS-REACTIVE DYES CONTAINING ACETOXYMETHYLSULFONE OR VINYLSULFONE AND THEIR PROCESS Korea Research Institute of Chemical Technology (KR) 2003-10-15 EP disclosed
EP-1066349-B1 REACTIVE BLACK DYES CONTAINING ACETOXYETHYLSULFONE MOIETIES KOREA RES INST CHEM TECH (KR) 2003-06-11 EP disclosed
EP-1066349-B1 REACTIVE BLACK DYES CONTAINING ACETOXYETHYLSULFONE MOIETIES KOREA RES INST CHEM TECH (KR) 2003-06-11 EP disclosed
EP-1066344-A1 REACTIVE RED DYES CONTAINING MONOCHLOROTRIAZINE AND ACETOXYETHYL SULFONE GROUPS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-01-10 EP disclosed
WO-1999048984-A1 REACTIVE BLUE DYES CONTAINING MONOCHLOROTRIAZINE AND ACETOXYETHYL SULFONE GROUPS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-09-30 WO disclosed
WO-1999048986-A1 REACTIVE BLACK DYES CONTAINING ACETOXYETHYL SULFONE MOIETY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-09-30 WO disclosed
WO-1999048983-A1 REACTIVE RED DYES CONTAINING MONOCHLOROTRIAZINE AND ACETOXYETHYL SULFONE GROUPS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-09-30 WO disclosed
WO-1999048986-A1 REACTIVE BLACK DYES CONTAINING ACETOXYETHYL SULFONE MOIETY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-09-30 WO disclosed
EP-0114786-A1 Perfluoralkylalkyl vinyl sulfoxides and sulfones CIBA-GEIGY AG (CH) 1984-08-01 EP disclosed
JP-S577463-A PREPARATION OF SULFURIC HALF ESTER COMPOUND SUMITOMO CHEM CO LTD 1982-01-14 JP disclosed