SCHEMBL490848

SCHEMBL490848

CC(CO)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Zinc Ion SCHEMBL491386 0.94 TP53 (0.46)
Potassium Ion SCHEMBL8994443 0.94
SCHEMBL30586081 0.94 TP53 (0.46)
SCHEMBL10812476 0.94 TP53 (0.46)
Isobutanol SCHEMBL28278602 0.77 TP53 (0.58)
SCHEMBL127765 0.74
SCHEMBL28317451 0.74 MEN1 (0.32)
1,4-Butanediol SCHEMBL28929814 0.74 SMN1; SMN2 (0.35)
SCHEMBL11684833 0.73 TSHR (0.41)
SCHEMBL2160446 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059464-A1 PROCESS FOR PREPARING 'SOAP-FREE', 'SULPHATE-FREE' AND 'GRIT-FREE' SOLID CLEANSING COMPOSITIONS GALAXY SURFACTANTS LTD. (IN) 2025-02-20 US claimed
EP-3644948-B1 ANHYDROUS SOLID COMPOSITION COMPRISING AN ISETHIONIC ACID DERIVATIVE, A GLUTAMIC ACID DERIVATIVE, AN AMPHOTERIC SURFACTANT AND FILLERS OREAL (FR) 2023-09-13 EP claimed
WO-2023160616-A1 A HYDROGEL COMPOSITION FOR PREPARING CUSTOMIZED MASK PACK BASF SE (DE) 2023-08-31 WO claimed
WO-2023151643-A1 COMPOSITION, PREPARATION METHOD, AND USE 广州天赐高新材料股份有限公司 2023-08-17 WO claimed
CN-114525180-B Composition, preparation method and application 广州天赐高新材料股份有限公司 2023-02-07 CN claimed
CN-114525180-A Composition, preparation method and application 广州天赐高新材料股份有限公司 2022-05-24 CN claimed
US-20210137800-A1 ANHYDROUS SOLID COMPOSITION COMPRISING AN ISETHIONIC ACID DERIVATIVE, A GLUTAMIC ACID DERIVATIVE, AN AMPHOTERIC SURFACTANT AND FILLERS L'OREAL (FR) 2021-05-13 US claimed
EP-3644948-A1 ANHYDROUS SOLID COMPOSITION COMPRISING AN ISETHIONIC ACID DERIVATIVE, A GLUTAMIC ACID DERIVATIVE, AN AMPHOTERIC SURFACTANT AND FILLERSANHYDROUS SOLID COMPOSITION COMPRISING AN ISETHIONIC ACID DERIVATIVE, A GLUTAMIC ACID DERIVATIVE, AN AMPHOTERIC SURFACTANT AND FILLERS L'Oréal (FR) 2020-05-06 EP claimed
US-20190343747-A1 COMPOSITIONS WITH ACYLISETHIONATE SURFACTANT AND METHODS OF USE INNOSPEC LIMITED (GB) 2019-11-14 US claimed
EP-3439623-A1 COMPOSITIONS WITH ACYLISETHIONATE SURFACTANT AND METHODS OF USE Innospec Limited (GB) 2019-02-13 EP claimed
US-20190031978-A1 LAUNDRY DETERGENT COMPOSITIONS THE HONEST COMPANY, INC. 2019-01-31 US claimed
WO-2019001940-A1 ANHYDROUS SOLID COMPOSITION COMPRISING AN ISETHIONIC ACID DERIVATIVE, A GLUTAMIC ACID DERIVATIVE, AN AMPHOTERIC SURFACTANT AND FILLERSANHYDROUS SOLID COMPOSITION COMPRISING AN ISETHIONIC ACID DERIVATIVE, A GLUTAMIC ACID DERIVATIVE, AN AMPHOTERIC SURFACTANT AND FILLERS L'OREAL (FR) 2019-01-03 WO claimed
WO-2018178332-A1 STABLE CLEANSING COMPOSITION IN THE FORM OF A FOAM L'OREAL (FR) 2018-10-04 WO claimed
US-20170292088-A1 LAUNDRY DETERGENT COMPOSITIONS THE HONEST COMPANY, INC. 2017-10-12 US claimed
WO-2017175005-A1 COMPOSITIONS WITH ACYLISETHIONATE SURFACTANT AND METHODS OF USE INNOSPEC LIMITED (GB) 2017-10-12 WO claimed
US-8580723-B2 Process compositions and production of acyl alkylisethionate compositions HUNTSMAN PETROCHEMICAL LLC (US) 2013-11-12 US claimed
WO-2012052536-A2 COSMETIC COMPOSITION COMPRISING ALOE VERA AND AN ISETHIONIC ACID DERIVATIVE L'OREAL (FR) 2012-04-26 WO claimed
US-20120094890-A1 Process Compositions and Production of Acyl Alkylisethionate Compositions HUNTSMAN PETROCHEMICAL LLC (US) 2012-04-19 US 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