SCHEMBL491192

SCHEMBL491192

CCC(O)CS(=O)(=O)[O-].[Na+]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 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
Silver SCHEMBL29887337 0.95 TP53 (0.31) TSHRTP53
SCHEMBL18577714 0.95 TP53 (0.31) TSHRTP53
Lithium Ion SCHEMBL10624523 0.95 TP53 (0.31) TSHRTP53
SCHEMBL15754774 0.81 NFKB1 (0.38) TSHR
SCHEMBL28654536 0.80 MEN1 (0.32) TSHRMEN1ALDH1A1KMT2ATP53
SCHEMBL9392655 0.78 NFKB1 (0.44) TSHRTP53
SCHEMBL1308988 0.77 ALDH1A1 (0.47) TSHRMEN1ALDH1A1KMT2ATP53
SCHEMBL26976755 0.77 ALDH1A1 (0.47) TSHRMEN1ALDH1A1KMT2ATP53
Silver SCHEMBL29887636 0.76 NFKB1 (0.34) TSHR
SCHEMBL15754444 0.76 ENPEP (0.42) TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469804-B2 Foaming composition with wettability modifying and corrosion inhibitory properties for high temperature and ultra-high salinity Instituto Mexico del Petroleo (MX) 2016-10-18 US claimed
CN-105602537-A Multifunctional foaming composition MEXICANO INST PETROL 2016-05-25 CN claimed
EP-2740781-B1 FOAMING COMPOSITION WITH WETTABILITY MODIFYING AND CORROSION INHIBITORY PROPERTIES FOR HIGH TEMPERATURE AND ULTRA-HIGH SALINITY INST MEXICANO DEL PETRÓLEO (MX) 2015-12-30 EP claimed
EP-2740781-A1 Foaming composition with wettability modifying and corrosion inhibitory properties for high temperature and ultra-high salinity Instituto Mexicano Del Petróleo (MX) 2014-06-11 EP claimed
CN-103849366-A Foaming composition with wettability modification and corrosion inhibition properties for high temperature and ultra high salinity MEXICANO INST PETROL 2014-06-11 CN claimed
US-20140151041-A1 FOAMING COMPOSITION WITH WETTABILITY MODIFYING AND CORROSION INHIBITORY PROPERTIES FOR HIGH TEMPERATURE AND ULTRA-HIGH SALINITY INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-06-05 US claimed
US-8580723-B2 Process compositions and production of acyl alkylisethionate compositions HUNTSMAN PETROCHEMICAL LLC (US) 2013-11-12 US claimed
CN-103288686-A Preparation and production method of acyl alkyl isethionate composition HUNTSMAN SPEC CHEM CORP 2013-09-11 CN claimed
US-20120094890-A1 Process Compositions and Production of Acyl Alkylisethionate Compositions HUNTSMAN PETROCHEMICAL LLC (US) 2012-04-19 US claimed
CN-101466819-A Process for preparing acylalkylisethionate ester compositions and process for producing same HUNTSMAN SPEC CHEM CORP (US) 2009-06-24 CN claimed
EP-2021445-A2 PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS Huntsman Petrochemical Corporation (US) 2009-02-11 EP claimed
WO-2007130390-A2 PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2007-11-15 WO claimed
US-4148797-A LEVELING AND BRIGHTENING AGENT FOR NICKEL ELECTROPLATING BATHS CILAG-CHEMIE A.G. (CH) 1979-04-10 US claimed
US-4067785-A PYRIDYL ALKYL SULFONIC ACID BETAINES CILAG-CHEMIE A.G. (CH) 1978-01-10 US claimed
CN-105163809-B Hair treatment composition 荷兰联合利华有限公司 2020-06-19 CN disclosed
US-10428194-B2 Modified acrylic resin cured product, and laminate thereof, and production methods therefor MITSUI CHEMICALS, INC. (JP) 2019-10-01 US disclosed
EP-3263635-B1 MODIFIED ACRYLIC RESIN CURED PRODUCT, AND LAMINATE THEREOF, AND PRODUCTION METHODS THEREFOR MITSUI CHEMICALS INC (JP) 2019-09-18 EP disclosed
US-4148797-A LEVELING AND BRIGHTENING AGENT FOR NICKEL ELECTROPLATING BATHS CILAG-CHEMIE A.G. (CH) 1979-04-10 US disclosed
US-4120859-A (N-Substituted-pyridyl)-alkyl sulfonic acid betaines as electroplating additives CILAG-CHEMIE A.G. (CH) 1978-10-17 US disclosed
US-4067785-A PYRIDYL ALKYL SULFONIC ACID BETAINES CILAG-CHEMIE A.G. (CH) 1978-01-10 US disclosed