SCHEMBL3092158

SCHEMBL3092158

O=[S-](=O)Cl.[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
SCHEMBL11517254 0.86
SCHEMBL7136944 0.60
SCHEMBL9717129 0.57
SCHEMBL28286409 0.54
SCHEMBL899679 0.46
Water SCHEMBL28803564 0.44
Oxygen SCHEMBL30603585 0.44
Fluoride Ion SCHEMBL1802584 0.44
SCHEMBL27885052 0.44
SCHEMBL107035 0.44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119069632-A Sodium ion battery 溧阳中科海钠科技有限责任公司 2024-12-03 CN claimed
CN-119069631-A Sodium ion battery 溧阳中科海钠科技有限责任公司 2024-12-03 CN disclosed
CN-119069632-A Sodium ion battery 溧阳中科海钠科技有限责任公司 2024-12-03 CN disclosed
US-20100274058-A1 Process for Preparation of 2-[Vinyl (Hetero) Arylsulphonyl] Ethanol Derivatives UNIVERSITY OF DURHAM (GB) 2010-10-28 US disclosed
US-20100010266-A1 Resin cross-linking THE UNIVERSITY OF MANCHESTER (GB) 2010-01-14 US disclosed
US-7598323-B2 Resin cross-linking THE UNIVERSITY OF MANCHESTER (GB) 2009-10-06 US disclosed
EP-1989181-A1 PROCESS FOR THE PREPARATION OF 2-[VINYL (HETERO) ARYL SULPHONYL]ETHANOL DERIVATIVES UNIVERSITY OF DURHAM (GB) 2008-11-12 EP disclosed
EP-1565513-B1 RESIN CROSS-LINKING UNIV MANCHESTER (GB) 2008-07-09 EP disclosed
WO-2007093772-A1 PROCESS FOR THE PREPARATION OF 2- [VINYL (HETERO) ARYL SULPHONYL] ETHANOL DERIVATIVES UNIVERSITY OF DURHAM (GB) 2007-08-23 WO disclosed
US-20060009572-A1 Resin cross-linking AKZO NOBEL COATINGS INTERNATIONAL B. V. (NL) 2006-01-12 US disclosed
EP-1565513-A1 RESIN CROSS-LINKING The University of Manchester (GB) 2005-08-24 EP disclosed
WO-2004048448-A1 RESIN CROSS-LINKING THE UNIVERSITY OF MANCHESTER (GB) 2004-06-10 WO disclosed