SCHEMBL875437

SCHEMBL875437

O=S(=O)(O)C(c1cccc2ccccc12)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 2/20 0.50
ACP3 P15309 5/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 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
Naphthalene SCHEMBL10399450 0.98 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL333604 0.84 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL7166979 0.82 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL14355495 0.82 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL11286909 0.82 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL27486069 0.82 ALDH1A1 (0.39) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL27839195 0.81 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL497026 0.81 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19CYP1A2KEAP1
SCHEMBL27974155 0.81 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19CYP1A2KEAP1
SCHEMBL2313238 0.78 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350356-B1 SEALING REAGENT FOR ALUMINUM ALLOY BYD CO LTD (CN) 2013-04-17 EP claimed
WO-2023066838-A1 PROCESS FOR PRODUCING IMPROVED RIGID POLYISOCYANURATE FOAMS BASED ON AROMATIC POLYESTER POLYOLS AND ETHYLENE OXIDE-BASED POLYETHER POLYOLS BASF SE (DE) 2023-04-27 WO disclosed
EP-3402645-A1 PROCESS FOR PRODUCING COMPOSITE ELEMENTS BASF SE (DE) 2018-11-21 EP disclosed
WO-2017121894-A1 PROCESS FOR PRODUCING COMPOSITE ELEMENTS BASF SE (DE) 2017-07-20 WO disclosed
EP-2969449-A1 METHOD FOR PRODUCING COMPOSITE ELEMENTS, AND OBTAINED COMPOSITE ELEMENT BASF SE (DE) 2016-01-20 EP disclosed
EP-2956246-A1 METHOD FOR PRODUCING COMPOSITE ELEMENTS BASF SE (DE) 2015-12-23 EP disclosed
US-9023449-B2 Composite reinforcement VIRTUM I SVERIGE AB (SE) 2015-05-05 US disclosed
WO-2014140014-A1 METHOD FOR PRODUCING COMPOSITE ELEMENTS, AND OBTAINED COMPOSITE ELEMENT BASF SE (DE) 2014-09-18 WO disclosed
WO-2014124824-A1 METHOD FOR PRODUCING COMPOSITE ELEMENTS BASF SE (DE) 2014-08-21 WO disclosed
US-20120076969-A1 THE COMPOSITE REINFORCEMENT NATALEX CONSULTING AB (SE) 2012-03-29 US disclosed
EP-0271789-A2 Polyester polyols based on 2-methyl pentane diol-1,5, 2-ethyl butane diol-1,4, 2-methyl glutaric acid and/or 2-ethyl succinic acid, liquid at room temperature, and the resultant dicarbonic-acid derivatives, process for their preparation and their use in the preparation of synthetics by the polyisocyanate polyaddition process BASF Aktiengesellschaft (DE) 1988-06-22 EP disclosed
EP-0248183-A1 Polyester polyols liquid at room temperature on the basis of 2-methylbutane diol-1,4, process for their preparation and their use in the preparation of synthetic resins by the polyisocyanate-polyaddition process BASF Aktiengesellschaft (DE) 1987-12-09 EP disclosed
EP-0194403-A1 Novel amide compound and herbicide comprising it TEIJIN LIMITED (JP) 1986-09-17 EP disclosed
US-4396387-A TREATING SKINS WITH A PROMOTOR PRIOR TO USE OF THE HYDRATED DOUBLE SALT OF TITANYL SULFATE AND AMMONIUM SULFATE MOTOV DAVID L (SU) 1983-08-02 US disclosed
US-4314975-A Method for preparing titanium tanning agent MOTOV DAVID L 1982-02-09 US disclosed
US-4191680-A Process for the manufacture of concentrated formulations ROHNER AG PRATTELN (CH) 1980-03-04 US disclosed