SCHEMBL5696140

SCHEMBL5696140

O=C([O-])CC=S.[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
SCHEMBL718013 0.71 CA1 (0.41)
SCHEMBL28830273 0.71
SCHEMBL31612594 0.71 CA4 (0.44)
SCHEMBL504097 0.69
SCHEMBL9861995 0.69 CA4 (0.42)
SCHEMBL1498197 0.67
SCHEMBL11297964 0.67 ALDH1A1 (0.44)
SCHEMBL11297968 0.67 ALDH1A1 (0.44)
SCHEMBL11303022 0.67 ALDH1A1 (0.44)
SCHEMBL11303017 0.67 ALDH1A1 (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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817383-A1 HYBRID AQUEOUS-BASED SUSPENSIONS FOR HYDRAULIC FRACTURING OPERATIONS Tucc Technology LLC (US) 2014-12-31 EP disclosed
WO-2013126639-A1 HYBRID AQUEOUS-BASED SUSPENSIONS FOR HYDRAULIC FRACTURING OPERATIONS DOBSON JR JAMES W (US) 2013-08-29 WO disclosed
US-20130213657-A1 Hybrid Aqueous-Based Suspensions for Hydraulic Fracturing Operations TEXAS UNITED CHEMICAL COMPANY, LLC (US) 2013-08-22 US disclosed
EP-1366269-B1 IMPROVED ELECTRON TRANSFER AGENTS IN WELL ACIDIZING COMPOSITIONS AND METHODS HALLIBURTON ENERGY SERV INC (US) 2006-07-12 EP disclosed
US-6706668-B2 REDUCTION OF IMPURITIES OF OIL WELLS USING A STRONG MINERAL ACID SOLUTION, AN ELECTRON DONOR AGENT AND A PRIMARY AND SECONDARY ELECTRON TRANSFER AGENT OF A RHENIUM COMPOUND AND A SOURCE OF IODINE, RESPECTIVELY; NONSETTLING PRODUCTS HALLIBURTON ENERGY SERVICES, INC. 2004-03-16 US disclosed
EP-1366269-A1 IMPROVED ELECTRON TRANSFER AGENTS IN WELL ACIDIZING COMPOSITIONS AND METHODS Halliburton Energy Services, Inc. (US) 2003-12-03 EP disclosed
US-6653260-B2 Aqueous mineral acid solution; sources or compounds of vanadium, iodine, and agents to reduce ferric to ferrous ion; cleaning compounds HALLIBURTON ENERGY SERVICES, INC. 2003-11-25 US disclosed
US-20030125216-A1 Electron transfer system for well acidizing compositions and methods HALLIBURTON ENERGY SERVICES, INC. 2003-07-03 US disclosed
EP-1318271-A1 Well acidizing compositions Halliburton Energy Services, Inc. (US) 2003-06-11 EP disclosed
US-20030064898-A1 Electron transfer agents in well acidizing compositions and methods BREZINSKI MICHAEL M (US) 2003-04-03 US disclosed
US-6534448-B1 Electron donor agent and electron transfer agent function together to reduce ferric ion present in the mineral acid solution to ferrous ion which in turn prevents ferric hydroxide and/or free sulfur from precipitating out HALLIBURTON ENERGY SERVICES, INC. 2003-03-18 US disclosed
WO-2002073002-A1 IMPROVED ELECTRON TRANSFER AGENTS IN WELL ACIDIZING COMPOSITIONS AND METHODS HALLIBURTON ENERGY SERVICES, INC. (US) 2002-09-19 WO disclosed
US-6415865-B1 HYDROCARBON SUBTERRANEAN FORMATIONS HALLIBURTON ENERGY SERVICES, INC. 2002-07-09 US disclosed
US-6225261-B1 CONTACTING SAID ACIDIC SOLUTION CONTAINING SULFIDES WITH AN ALDEHYDE OR KETONE SULFIDE REACTANT HALLIBURTON ENERGY SERVICES, INC. 2001-05-01 US disclosed
EP-0599474-B1 Controlling iron in aqueous well fracturing fluids HALLIBURTON ENERGY SERV INC (US) 1997-12-17 EP disclosed
US-5674817-A CONSISTS OF THIOALKYL ACID OR DERIVATIVS AS REDUCING AGENT FOR REDUCING FERRIC IRON TO FERROUS IRON, THUS PREVENTS THE PRECIPITATION OF FERRIC COMPOUNDS OR UNDESIRABLE CROSSLINKING OF POLYMER HALLIBURTON ENERGY SERVICES, INC. (US) 1997-10-07 US disclosed
US-5622919-A REACTING FERRIC ION IN THE FORMATION WITH A THIOGLYCOLIC ACID REDUCING AGENT AND A ALPHA-KETONE SULFIDE REACTING AGENT TO INHIBIT FORMATION OF FERROUS SULFIDE HALLIBURTON COMPANY (US) 1997-04-22 US disclosed
EP-0599474-A2 Controlling iron in aqueous well fracturing fluids HALLIBURTON COMPANY (US) 1994-06-01 EP disclosed