SCHEMBL6157707

SCHEMBL6157707

CC(O)C(O)OC(C)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
SCHEMBL7944629 0.81 MEN1 (0.32)
SCHEMBL7945940 0.71 THRB (0.30)
SCHEMBL364400 0.68
SCHEMBL4618236 0.68
SCHEMBL556307 0.68 ALDH1A1 (0.39)
SCHEMBL5486543 0.67 MEN1 (0.37)
SCHEMBL28527739 0.67 MEN1 (0.37)
SCHEMBL28636816 0.67
SCHEMBL7945943 0.65
Sulfuric Acid SCHEMBL28159484 0.65 ALDH1A1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035194-B1 Use of comb polymers as soil release polymers CLARIANT GMBH (DE) 2004-09-15 EP claimed
US-6255274-B1 DETERGENTS, CLEANING COMPOUNDS CLARIANT GMBH (DE) 2001-07-03 US claimed
EP-1035194-A2 Use of comb polymers as soil release polymers Clariant GmbH (DE) 2000-09-13 EP claimed
EP-1368387-B1 MICROENCAPSULATED BIOLOGICALLY ACTIVE SUBSTANCES THAT CONTAIN A WATER-SOLUBLE OR WATER-DISPERSIBLE COMB POLYMER CLARIANT GMBH (DE) 2005-02-09 EP disclosed
EP-1035194-B1 Use of comb polymers as soil release polymers CLARIANT GMBH (DE) 2004-09-15 EP disclosed
US-20040048749-A1 Microencapsulated biologically active substances that contain a water-soluble or water-dispersible comb polymer CLARIANT GMBH (DE) 2004-03-11 US disclosed
EP-1368387-A2 MICROENCAPSULATED BIOLOGICALLY ACTIVE SUBSTANCES THAT CONTAIN A WATER-SOLUBLE OR WATER-DISPERSIBLE COMB POLYMER Clariant GmbH (DE) 2003-12-10 EP disclosed
WO-2002062856-A2 MICROENCAPSULATED BIOLOGICALLY ACTIVE SUBSTANCES THAT CONTAIN A WATER-SOLUBLE OR WATER-DISPERSIBLE COMB POLYMER CLARIANT GMBH (DE) 2002-08-15 WO disclosed
US-6255274-B1 DETERGENTS, CLEANING COMPOUNDS CLARIANT GMBH (DE) 2001-07-03 US disclosed
EP-1035194-A2 Use of comb polymers as soil release polymers Clariant GmbH (DE) 2000-09-13 EP disclosed