Water

Water

SCHEMBL223122

O.O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Li+]

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
Lithium Ion SCHEMBL37211 0.94
Water SCHEMBL11525489 0.94
Water SCHEMBL7133875 0.94
Lithium Ion SCHEMBL9788169 0.94
Water SCHEMBL9614366 0.94
Lithium Ion SCHEMBL10405727 0.94
Water SCHEMBL10760062 0.94
Water SCHEMBL132022 0.94
Water SCHEMBL4351117 0.94
Water SCHEMBL19250732 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006047812-A1 WATER TREATMENT HURSTWELL PTY LIMITED (AU) 2006-05-11 WO claimed
US-20200246757-A1 NANOCOMPOSITE MEMBRANES AND METHODS OF MAKING AND USING SAME UNIV CALIFORNIA (US) 2020-08-06 US disclosed
US-10618013-B2 Nanocomposite membranes and methods of making and using same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-04-14 US disclosed
WO-2013181708-A1 LOW SODIUM SALT NEPTUNE BIO-INNOVATIONS (IP) PTY LTD (AU) 2013-12-12 WO disclosed
EP-2401924-A1 Methods for enhancing palatability of compositions for animal consumption Hill's Pet Nutrition, Inc. (US) 2012-01-04 EP disclosed
EP-1879469-B1 METHODS FOR ENHANCING PALATABILITY OF COMPOSITIONS FOR ANIMAL CONSUMPTION HILLS PET NUTRITION INC (US) 2011-11-09 EP disclosed
US-8029857-B2 Compaction resistance, flux flow characteristics; water purification; interfacial polymerization production of semipermeable polyamide matrices THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-04 US disclosed
US-20110027599-A1 Nanocomposite membranes and methods of making and using same REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2011-02-03 US disclosed
WO-2010144972-A1 A CATALYTIC MATERIAL, METHOD OF MANUFACTURE AND METHOD OF USE NEWSQUARE TRADING LIMITED (CN) 2010-12-23 WO disclosed
US-20100224555-A1 NANOCOMPOSITE MEMBRANES AND METHODS OF MAKING AND USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-09-09 US disclosed
WO-2007056686-A1 METHODS AND COMPOSITIONS FOR IMPROVING STOOL QUALITY HILL'S PET NUTRITION, INC. (US) 2007-05-18 WO disclosed
US-7208610-B2 Process for isomerization of 2-halothiophene to 3-halothiophene HONEYWELL INTERNATIONAL INC. (US) 2007-04-24 US disclosed
WO-2006122196-A2 METHODS FOR ENHANCING PALATABILITY OF COMPOSITIONS FOR ANIMAL CONSUMPTION HILL'S PET NUTRITION, INC. (US) 2006-11-16 WO disclosed
WO-2006098872-A2 NANOCOMPOSITE MEMBRANES AND METHODS OF MAKING AND USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-21 WO disclosed
WO-2006076139-A1 PROCESS FOR ISOMERIZATION OF 2-HALOTHIOPHENE TO-3-HALOTHIOPHENE HONEYWELL INTERNATIONAL INC. (US) 2006-07-20 WO disclosed
US-20060155133-A1 Process for isomerization of 2-halothiophene to 3-halothiophene HONEYWELL INTERNATIONAL INC. 2006-07-13 US disclosed
WO-2006047812-A1 WATER TREATMENT HURSTWELL PTY LIMITED (AU) 2006-05-11 WO disclosed
WO-2005063660-A2 METHOD FOR THE PURIFICATION OF PHARMACEUTICAL GRADE HFC-134A AND POLYMER GRADE HCFC-22 HONEYWELL INTERNATIONAL INC. (US) 2005-07-14 WO disclosed
US-20050133360-A1 Process for the purification of pharmaceutical grade HFC-134a and polymer grade HCFC-22 HONEYWELL INTERNATIONAL INC. 2005-06-23 US disclosed
WO-2002099824-A2 NANOTUBE DEPOSITION ON ADSORBENTS IN WATER MAKER HEAT PUMP ZORNES DAVID A (US) 2002-12-12 WO disclosed