Water

Water

SCHEMBL924465

O.[Ca+2].[O-][Si](O)(O)O.[OH-]

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 SCHEMBL789166 0.94
Water SCHEMBL28026963 0.89
Water SCHEMBL5423340 0.89
Water SCHEMBL28258594 0.89
Water SCHEMBL5356980 0.84
Water SCHEMBL27908083 0.84
Water SCHEMBL914499 0.82
Fluoride Ion SCHEMBL10624985 0.82
Water SCHEMBL914081 0.82
Water SCHEMBL303039 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348203-A Chromium-free copper-calcium silicate catalyst for hydrogenolysis/hydrogenation of fatty esters 巴斯夫公司 2023-06-27 CN claimed
US-7579084-B2 Ceramic material, compositions and methods for manufacture thereof CAROMA INDUSTRIES LIMITED (AU) 2009-08-25 US claimed
US-20080300129-A1 CERAMIC MATERIAL, COMPOSITIONS AND METHODS FOR MANUFACTURE THEREOF CAROMA INSDUSTRIES LIMITED (AU) 2008-12-04 US claimed
US-20070149383-A1 Ceramic material, compositions and methods for manufacture thereof CAROMA INSDUSTRIES LIMITED (AU) 2007-06-28 US claimed
EP-4673649-A1 PROCESS FOR IMPROVING HEAT RECOVERY FROM GEOTHERMAL WATER Casil Technologies Limited (NZ) 2026-01-07 EP disclosed
WO-2024181871-A1 PROCESS FOR IMPROVING HEAT RECOVERY FROM GEOTHERMAL WATER CASIL TECHNOLOGIES LIMITED (NZ) 2024-09-06 WO disclosed
US-11771716-B2 Nanoclays for the control of melanoma cell proliferation and cell viability KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-10-03 US disclosed
CN-219753235-U Fluid supply device of high-pressure jet grouting pile 开封市齐力预应力设备有限公司 2023-09-26 CN disclosed
CN-116348203-A Chromium-free copper-calcium silicate catalyst for hydrogenolysis/hydrogenation of fatty esters 巴斯夫公司 2023-06-27 CN disclosed
CN-116348203-A Chromium-free copper-calcium silicate catalyst for hydrogenolysis/hydrogenation of fatty esters 巴斯夫公司 2023-06-27 CN disclosed
US-11634641-B2 Aerogel compositions for high temperature applications ASPEN AEROGELS, INC. (US) 2023-04-25 US disclosed
US-11549059-B2 Aerogel compositions with enhanced performance MIDCAP FUNDING IV TRUST 2023-01-10 US disclosed
US-20070051376-A1 Composition for cushions, wounds dressings and other skin-contacting products CORIUM INTERNATIONAL, INC. (US) 2007-03-08 US disclosed
US-20060034905-A1 Adhesive composition CORIUM PHARMA SOLUTIONS, INC. 2006-02-16 US disclosed
WO-2006017807-A2 ADHESIVE COMPOSITION CORIUM INTERNATIONAL, INC. (US) 2006-02-16 WO disclosed
WO-2006017546-A1 ANIONIC-CONTAING FEED SUPPLEMENTS HAVING A LOW PROTEIN BY-PASS VALUE NOVUS INTERNATIONAL, INC. (US) 2006-02-16 WO disclosed
US-20060029646-A1 Anionic-containing feed supplements having a low protein by-pass value NOVUS INTERNATIONAL, INC. 2006-02-09 US disclosed
EP-1513561-A2 SKIN ADHESIVE FOR CUSHIONS AND WOUND DRESSINGS Corium International (US) 2005-03-16 EP disclosed
WO-2003099344-A2 SKIN ADHESIVE FOR CUSHIONS AND WOUND DRESSINGS CORIUM INTERNATIONAL (US) 2003-12-04 WO disclosed
US-20030225356-A1 Composition for cushions, wound dressings and other skin-contacting products COLUMBUS INVESTMENT HOLDINGS SA (CH) 2003-12-04 US disclosed