SCHEMBL710213

SCHEMBL710213

[Ca+2].[NaH].[O-]Cl.[O-]Cl

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
SCHEMBL9064948 0.89 MAPK1 (0.60)
Calcium Hypochloride SCHEMBL20269 0.89
SCHEMBL4551808 0.80
SCHEMBL3802559 0.80
Water SCHEMBL966054 0.80
Hydrochloric Acid SCHEMBL820062 0.80
SCHEMBL1685170 0.80
SCHEMBL5465993 0.80
Lithium Ion SCHEMBL11211373 0.80
Potassium Ion SCHEMBL14739178 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342231-B2 Method and composition for inhibition of microbial growth in aqueous food transport and process streams ECOLAB USA INC. (US) 2019-07-09 US disclosed
US-20180328519-A1 Deep water deployment and retrieval system ACTIVE DISABLED AMERICANS INC. 2018-11-15 US disclosed
US-20160106096-A1 METHOD AND COMPOSITION FOR INHIBITION OF MICROBIAL GROWTH IN AQUEOUS FOOD TRANSPORT AND PROCESS STREAMS ECOLAB USA INC. 2016-04-21 US disclosed
US-9247738-B2 Method and composition for inhibition of microbial growth in aqueous food transport and process streams ECOLAB USA INC. (US) 2016-02-02 US disclosed
US-20150274564-A1 COASTAL WATER FACTORY AND METHODS OF USING SAME TO PRODUCE AND DISTRIBUTE POTABLE WATER AND ICE SUSTAINABLE OCEAN SYSTEMS, INC. 2015-10-01 US disclosed
US-8492312-B2 Systemic plant conditioning composition REGENTS OF THE UNIVERSITY OF MINNESTOA (US) 2013-07-23 US disclosed
US-20130017301-A1 METHOD AND COMPOSITION FOR INHIBITION OF MICROBIAL GROWTH IN AQUEOUS FOOD TRANSPORT AND PROCESS STREAMS ECOLAB USA INC. (US) 2013-01-17 US disclosed
US-20120070549-A1 METHOD OF TREATING A FOOD PRODUCT WITH AN ANTIMICROBIAL AGENT COMPOSITION AND A TREATED FOOD PRODUCT ECOLAB USA INC. (US) 2012-03-22 US disclosed
US-8124132-B2 Method and composition for inhibition of microbial growth in aqueous food transport and process streams ECOLAB USA INC. (US) 2012-02-28 US disclosed
EP-1991054-A2 SYSTEMIC PLANT CONDITIONING COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-19 EP disclosed
WO-2007058874-A2 SYSTEMIC PLANT CONDITIONING COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-05-24 WO disclosed
US-20070104751-A1 Systemic plant conditioning composition REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-05-10 US disclosed
US-20070098751-A1 Method and composition for inhibition of microbial growth in aqueous food transport and process streams ECOLAB INC. (US) 2007-05-03 US disclosed
US-7150884-B1 Composition for inhibition of microbial growth ECOLAB INC. (US) 2006-12-19 US disclosed
EP-1307099-B1 INHIBITON OF MICROBIAL GROWTH IN AQUEOUS FOOD TRANSPORT AND PROCESS STREAMS ECOLAB INC (US) 2005-10-19 EP disclosed
EP-1307099-A2 INHIBITON OF MICROBIAL GROWTH IN AQUEOUS FOOD TRANSPORT AND PROCESS STREAMS ECOLAB INC. (US) 2003-05-07 EP disclosed
WO-2002003799-A2 INHIBITION OF MICROBIAL GROWTH IN AQUEOUS FOOD TRANSPORT AND PROCESS STREAMS ECOLAB INC. (US) 2002-01-17 WO disclosed
EP-0842895-A1 Selective oxidation of hydrogen sulfide in molten sulfur BetzDearborn Inc (US) 1998-05-20 EP disclosed
US-5686057-A Selective oxidation of hydrogen sulfide in molten sulfur BETZDEARBORN INC. (US) 1997-11-11 US disclosed
US-4410566-A Method and apparatus for the removal of mildew and other stains from paper or parchment MILLS BRIAN W (GB) 1983-10-18 US disclosed