Water

Water

SCHEMBL1065497

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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 SCHEMBL4270837 1.00
Water SCHEMBL4270840 1.00
Water SCHEMBL10932625 1.00
Water SCHEMBL2274331 1.00
Water SCHEMBL11137538 1.00
Water SCHEMBL4273407 1.00
Water SCHEMBL6766280 1.00
Water SCHEMBL11313855 1.00
Water SCHEMBL21752946 1.00
Lithium Ion SCHEMBL3464915 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455339-B1 MAGNESIUM OXIDE PARTICLES, METHOD FOR PRODUCING SAME, HEAT DISSIPATING FILLER, RESIN COMPOSITION, HEAT DISSIPATING GREASE, AND HEAT DISSIPATING COATING COMPOSITION SAKAI CHEMICAL INDUSTRY CO (JP) 2017-01-04 EP claimed
CN-102471082-B Magnesium oxide particles, method for producing same, heat dissipating filler, resin composition, heat dissipating grease, and heat dissipating coating composition SAKAI CHEMICAL INDUSTRY CO 2014-12-24 CN claimed
US-20120291670-A1 MAGNESIUM OXIDE PARTICLE, METHOD FOR PRODUCING IT, EXOERGIC FILLER, RESIN COMPOSITION, EXOERGIC GREASE AND EXOERGIC COATING COMPOSITION SAKAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-11-22 US claimed
EP-2455339-A1 MAGNESIUM OXIDE PARTICLES, METHOD FOR PRODUCING SAME, HEAT DISSIPATING FILLER, RESIN COMPOSITION, HEAT DISSIPATING GREASE, AND HEAT DISSIPATING COATING COMPOSITION Sakai Chemical Industry Co., Ltd. (JP) 2012-05-23 EP claimed
CN-102471082-A Magnesium oxide particles, method for producing same, heat-dissipating filler, resin composition, heat-dissipating grease, and heat-dissipating coating composition SAKAI CHEMICAL INDUSTRY CO 2012-05-23 CN claimed
US-20110014469-A1 MAGNESIUM OXIDE PARTICLE, METHOD FOR PRODUCING IT, EXOERGIC FILLER, RESIN COMPOSITION, EXOERGIC GREASE AND EXOERGIC COATING COMPOSITION SAKAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-20 US claimed
WO-2004067615-A2 EPOXY RESIN COMPOSITIONS, METHODS OF PREPARING, AND ARTICLES MADE THEREFROM RESOLUTION PERFORMANCE PRODUCTS LLC (US) 2004-08-12 WO claimed
US-20040147711-A1 Epoxy resin compositions, methods of preparing, and articles made therefrom BORDEN CHEMICAL FOUNDRY, LLC 2004-07-29 US claimed
US-6022480-A Methods and devices for treating water THE JOHN GIRVAN COMPANY, INC. (US) 2000-02-08 US claimed
EP-0843649-A4 IMPROVED METHOD OF TREATING WATER GIRVAN DON H (US) 1999-01-07 EP claimed
EP-0843649-A1 IMPROVED METHOD OF TREATING WATER Girvan, Don H. (US) 1998-05-27 EP claimed
US-5676844-A Method of treating water HAVILAND CONSUMER PRODUCTS COMPANY 1997-10-14 US claimed
WO-1997007062-A1 IMPROVED METHOD OF TREATING WATER GIRVAN DON H (US) 1997-02-27 WO claimed
US-4707193-A Method for activating metal surfaces prior to zinc phosphation GERHARD COLLARDIN GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1987-11-17 US claimed
US-4401789-A POLYMERIZATION OF UNSATURATED MONOMER IN SOLUTION CONTAINING BUFFER HALLIBURTON COMPANY (US) 1983-08-30 US claimed
EP-2455339-B1 MAGNESIUM OXIDE PARTICLES, METHOD FOR PRODUCING SAME, HEAT DISSIPATING FILLER, RESIN COMPOSITION, HEAT DISSIPATING GREASE, AND HEAT DISSIPATING COATING COMPOSITION SAKAI CHEMICAL INDUSTRY CO (JP) 2017-01-04 EP disclosed
CN-102471082-B Magnesium oxide particles, method for producing same, heat dissipating filler, resin composition, heat dissipating grease, and heat dissipating coating composition SAKAI CHEMICAL INDUSTRY CO 2014-12-24 CN disclosed
US-4439334-A Enhanced oil recovery methods and systems HALLIBURTON COMPANY (US) 1984-03-27 US disclosed
US-4401789-A POLYMERIZATION OF UNSATURATED MONOMER IN SOLUTION CONTAINING BUFFER HALLIBURTON COMPANY (US) 1983-08-30 US disclosed
US-4395340-A INJECTION OF ACRYLIC POLYMERS, SULFITES AND SALT SOLUTION INTO WELL FORMATIONS HALLIBURTON COMPANY (US) 1983-07-26 US disclosed