SCHEMBL9558384

SCHEMBL9558384

O=S(=O)(O)c1ccc2ccccc2c1Cc1c(S(=O)(=O)O)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CTRB1 P17538 1/20 0.49
MPL P40238 3/20 0.44
CTRC Q99895 2/20 0.44
GPR35 Q9HC97 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SLC2A1 P11166 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL10483753 0.98 HSD17B10 (0.52) HSD17B10CYP1A2CYP2C9CYP2C19CTRB1
SCHEMBL10483759 0.98 HSD17B10 (0.52) HSD17B10CYP1A2CYP2C9CYP2C19CTRB1
SCHEMBL11777460 0.98 HSD17B10 (0.52) HSD17B10CYP1A2CYP2C9CYP2C19CTRB1
SCHEMBL14991517 0.89 CTRB1 (0.49) HSD17B10CYP1A2CYP2C9CYP2C19CTRB1
Methane SCHEMBL11515148 0.89 CTRB1 (0.43) HSD17B10CYP1A2CYP2C9CYP2C19CTRB1
Ammonia Solution, Strong SCHEMBL11516355 0.89 CTRB1 (0.43) HSD17B10CYP1A2CYP2C9CYP2C19CTRB1
Ammonia Solution, Strong SCHEMBL11294453 0.89 CTRB1 (0.43) HSD17B10CYP1A2CYP2C9CYP2C19CTRB1
SCHEMBL12363940 0.86 NCEH1 (0.47) HSD17B10CYP1A2CYP2C9CYP2C19CTRB1
SCHEMBL1702486 0.86 CTRB1 (0.47) HSD17B10CYP1A2CYP2C9CYP2C19CTRB1
SCHEMBL31069880 0.86 NCEH1 (0.47) HSD17B10CYP1A2CYP2C9CYP2C19CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4456492-A MELT OF OXYGEN RELEASING SALT, FUEL MATERIALS, AND AMMONIUM NITRATE ICI AUSTRALIA LIMITED (AU) 1984-06-26 US claimed
US-4401490-A OXYGEN-RELEASING SALT, MELT-SOLUBLE FUEL AND A NAPHTHALENESULFONATE-FORMALDEHYDE CONDENSATE ICI AUSTRALIA LIMITED (AU) 1983-08-30 US claimed
US-9190695-B2 Nonaqueous electrolyte solution, method for producing same, and nonaqueous electrolyte battery using the electrolyte solution WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-17 US disclosed
US-20150244028-A1 NONAQUEOUS SECONDARY CELL, AND FIRE-RETARDANT AGENT AND ADDITIVE FOR NONAQUEOUS SECONDARY CELL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-27 US disclosed
EP-2602855-B1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION WAKO PURE CHEM IND LTD (JP) 2015-02-18 EP disclosed
EP-2602855-A1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION Wako Pure Chemical Industries, Ltd. (JP) 2013-06-12 EP disclosed
US-20130143129-A1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-06 US disclosed
US-5250079-A Dyeing with anionic dyes; colorfastness; levelling properties; uniform shades SANDOZ LTD. (CH) 1993-10-05 US disclosed
US-4456492-A MELT OF OXYGEN RELEASING SALT, FUEL MATERIALS, AND AMMONIUM NITRATE ICI AUSTRALIA LIMITED (AU) 1984-06-26 US disclosed
US-4401490-A OXYGEN-RELEASING SALT, MELT-SOLUBLE FUEL AND A NAPHTHALENESULFONATE-FORMALDEHYDE CONDENSATE ICI AUSTRALIA LIMITED (AU) 1983-08-30 US disclosed
EP-0017618-B1 PROCESS FOR OPTICALLY BRIGHTENING POLYESTER FIBRES BY THE EXHAUST PROCESS CIBA-GEIGY AG (CH) 1983-03-02 EP disclosed
US-4017477-A 3-Halogeno-6-hydroxy-pyridone-(2) azo dyestuffs CIBA-GEIGY AG (CH) 1977-04-12 US disclosed
US-4014760-A REACTION PRODUCT OF ARYL AMINE WITH PROPANE SULTONE, SULFOALKYL SULFIDE M & T CHEMICALS INC. (US) 1977-03-29 US disclosed
US-4009087-A N-HETERO AROMATIC, AND SULFOALKYL OR SULFOARYL SULFIDE M&T CHEMICALS INC. (US) 1977-02-22 US disclosed
US-3966565-A ARYL AMINES, SULFOALKYL SULFIDES M & T CHEMICALS INC. (US) 1976-06-29 US disclosed
US-3956079-A ARYL AMINE, SULFOALKYL SULFIDE M & T CHEMICALS INC. (US) 1976-05-11 US disclosed
US-3956078-A ARYL OR ALICYCLIC AMINE, SULFOALKYL SULFIDE M & T CHEMICALS INC. (US) 1976-05-11 US disclosed
US-3956084-A ARYL AMINE, SULFOALKYL SULFIDE M & T CHEMICALS INC. (US) 1976-05-11 US disclosed
US-3956120-A SULFUR HETEROCYCLIC AMINE, SULFOALKYL SULFIDE M & T CHEMICALS INC. (US) 1976-05-11 US disclosed
US-3940320-A NITROGEN CONTAINING HETEROCYCLE, SULFOALKYL SULFIDE M & T CHEMICALS INC. (US) 1976-02-24 US disclosed