Water

Water

SCHEMBL4865090

O.O.O.O.O.O=[Si]([O-])[O-].[K+].[K+]

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

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
Water SCHEMBL4863335 1.00
Water SCHEMBL4856157 1.00
Water SCHEMBL781993 1.00
Water SCHEMBL2404103 1.00
Water SCHEMBL2380464 0.94
Water SCHEMBL5191861 0.94
Water SCHEMBL11407416 0.94
Water SCHEMBL7873856 0.94
Potassium Ion SCHEMBL781153 0.94
Potassium Ion SCHEMBL25987 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116019125-B Chlorine dioxide slow-release gel and preparation method thereof 山东华实药业有限公司 2023-05-23 CN claimed
CN-116019124-B High-efficiency chlorine dioxide disinfectant and production method thereof 山东华实药业有限公司 2023-05-23 CN claimed
CN-116019125-A Chlorine dioxide slow-release gel and preparation method thereof 山东华实药业有限公司 2023-04-28 CN claimed
CN-116019124-A High-efficiency chlorine dioxide disinfectant and production method thereof 山东华实药业有限公司 2023-04-28 CN claimed
WO-2021061920-A1 PROTECTIVE COATING Geopolymer Solutions, LLC (US) 2021-04-01 WO claimed
US-20210087114-A1 PROTECTIVE COATING Geopolymer Solutions, LLC 2021-03-25 US claimed
US-10954162-B1 Protective coating Geopolymer Solutions, LLC (US) 2021-03-23 US claimed
CN-110952103-A Carbon steel corrosion inhibitor for oxygen-containing salt water and preparation method thereof 万华化学集团股份有限公司 2020-04-03 CN claimed
US-20150189893-A1 Method for Treating Fresh Fruits and Fresh Vegetable Products Lemons, Kel Eugene (US) 2015-07-09 US claimed
US-7354888-B2 Antibacterial composition and methods thereof comprising a ternary builder mixture DANISCO A/S (DK) 2008-04-08 US claimed
EP-1412288-B1 DISINFECTING PEROXOSILICATED COMPOUND WITH SCALE PREVENTIVE EFFECT, PREPARATION METHOD AND USE THEREOF INST FRANCAIS DU PETROLE (FR) 2005-09-07 EP claimed
EP-1534090-A1 ANIMAL PROTEIN-CONTAINING FOOD PRODUCTS HAVING IMPROVED MOISTURE RETENTION Danisco USA Inc. (US) 2005-06-01 EP claimed
US-20040062851-A1 Animal protein-containing food products having improved moisture retention DUPONT NUTRITION BIOSCIENCES APS (DK) 2004-04-01 US claimed
WO-2004016107-A1 ANIMAL PROTEIN-CONTAINING FOOD PRODUCTS HAVING IMPROVED MOISTURE RETENTION DANISCO A/S (GB) 2004-02-26 WO claimed
US-4359093-A AQUEOUS SLUG OF ALKALINE MATERIAL AND A CHELATING AMINOPOLYCARBOXYLIC ACID OR SALT UNION OIL CO. OF CALIFORNIA (US) 1982-11-16 US claimed
EP-0052097-A1 PRODUCTION OF LIGNIN-CELLULOSE RESINS AND CARBOHYDRATES BLOUNT, David H. (US) 1982-05-26 EP claimed
WO-1981003332-A1 PRODUCTION OF LIGNIN-CELLULOSE RESINS AND CARBOHYDRATES BLOUNT DAVID H (US) 1981-11-26 WO claimed
US-4170697-A Process for the production of polyisocyanate silicate solid or cellular solid products BLOUNT DAVID H 1979-10-09 US claimed
US-4153764-A Process for the production of polyisocyanate organic silicate solid/cellular solid product BLOUNT DAVID H 1979-05-08 US claimed
US-4141416-A Enhanced oil recovery using alkaline sodium silicate solutions UNION OIL COMPANY OF CALIFORNIA (US) 1979-02-27 US claimed