Water

Water

SCHEMBL610762

O.[Cl-].[Mg+2].[OH-]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. 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
Hydrochloric Acid SCHEMBL16618147 0.87
Hydrochloric Acid SCHEMBL7664263 0.87
Water SCHEMBL11417389 0.87
Water SCHEMBL9111730 0.87
Water SCHEMBL3887949 0.87
Water SCHEMBL9628806 0.87
Hydrochloric Acid SCHEMBL16617736 0.87
Water SCHEMBL139170 0.87
Water SCHEMBL21225084 0.87
Water SCHEMBL7132546 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078132-B2 Nanowire catalysts and methods for their use and preparation LUMMUS TECHNOLOGY LLC (US) 2021-08-03 US disclosed
US-20200070136-A1 PRODUCTION OF ETHYLENE WITH NANOWIRE CATALYSTS SILURIA TECHNOLOGIES INC (US) 2020-03-05 US disclosed
CN-110662791-A Method for processing a mixture of lignocellulosic fibres for the preparation of a bio-based composite material 恩纳尔盖伊私人有限公司 2020-01-07 CN disclosed
US-10195603-B2 Production of ethylene with nanowire catalysts SILURIA TECHNOLOGIES, INC. (US) 2019-02-05 US disclosed
EP-2853521-B1 METHOD FOR THE OXIDATIVE COUPLING OF METHANE IN THE PRESENCE OF A NANOWIRE CATALYST SILURIA TECHNOLOGIES INC (US) 2018-10-10 EP disclosed
US-20180118637-A1 NANOWIRE CATALYSTS AND METHODS FOR THEIR USE AND PREPARATION LUMMUS TECHNOLOGY LLC 2018-05-03 US disclosed
US-20180117579-A1 PRODUCTION OF ETHYLENE WITH NANOWIRE CATALYSTS SILURIA TECHNOLOGIES INC (US) 2018-05-03 US disclosed
US-9751818-B2 Nanowire catalysts and methods for their use and preparation SILURIA TECHNOLOGIES, INC. (US) 2017-09-05 US disclosed
US-9718054-B2 Production of ethylene with nanowire catalysts SILURIA TECHNOLOGIES, INC. (US) 2017-08-01 US disclosed
US-9315730-B1 Advanced fire-resistant forms of activated carbon and methods of adsorbing and separating gases using same SANDIA CORPORATION (US) 2016-04-19 US disclosed
US-8945277-B1 Advanced fire-resistant forms of activated carbon and methods of adsorbing and separating gases using same SANDIA CORPORATION (US) 2015-02-03 US disclosed
EP-2576046-B1 Method for producing ethylene from methane using a polycrystalline nanowire catalyst SILURIA TECHNOLOGIES INC (US) 2014-11-19 EP disclosed
EP-2785458-A2 NANOWIRE CATALYSTS AND METHODS FOR THEIR USE AND PREPARATION Siluria Technologies, Inc. (US) 2014-10-08 EP disclosed
US-20130165728-A1 NANOWIRE CATALYSTS AND METHODS FOR THEIR USE AND PREPARATION SILURIA TECHNOLOGIES, INC. (US) 2013-06-27 US disclosed
WO-2013082318-A2 NANOWIRE CATALYSTS AND METHODS FOR THEIR USE AND PREPARATION SILURIA TECHNOLOGIES, INC. (US) 2013-06-06 WO disclosed
EP-2576046-A2 NANOWIRE CATALYSTS Siluria Technologies, Inc. (US) 2013-04-10 EP disclosed
CN-102134746-B Preparation method of alkali type magnesium chloride whisker UNIV WUHAN TECH 2012-12-19 CN disclosed
US-20120041246-A1 NANOWIRE CATALYSTS SILURIA TECHNOLOGIES, INC. (US) 2012-02-16 US disclosed
WO-2011149996-A2 NANOWIRE CATALYSTS SILURIA TECHNOLOGIES, INC. (US) 2011-12-01 WO disclosed
CN-102134746-A Preparation method of alkali type magnesium chloride whisker UNIV WUHAN TECH 2011-07-27 CN disclosed