Water

Water

SCHEMBL2113577

O.[MgH2].[N]

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 SCHEMBL7924107 0.82
Water SCHEMBL17983493 0.82
Water SCHEMBL10986986 0.82
Water SCHEMBL8035384 0.82
Water SCHEMBL5464572 0.82
Water SCHEMBL373754 0.82
Water SCHEMBL10795870 0.82
Water SCHEMBL17768887 0.82
Water SCHEMBL345104 0.82
Water SCHEMBL10525064 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158089-B2 Compositions and methods for wastewater treatment WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-04-17 US claimed
US-20090013742-A1 COMPOSITIONS AND METHODS FOR WASTEWATER TREATMENT WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-01-15 US claimed
US-6506805-B2 Of given particle sizes; by adding to magnesium hydroxide slurry ammonia and phosphoric acid sequentially, while maintaining the temperature below 110 degrees F. PHILIP MORRIS USA INC. 2003-01-14 US claimed
US-5166102-A GLASS COMPOSITIONS CONTAINING OXYGEN AND NITROGEN AND PRODUCTION OF NITROCERAMICS/VETROCERAMICS COMPOSITES THEREFROM CERAMIQUES ET COMPOSITES (FR) 1992-11-24 US claimed
CN-116081660-B Preparation method of hydrated ammonium sulfate salt 西南科技大学 2024-06-14 CN disclosed
CN-115991496-B Preparation method of hydrated magnesium ammonium sulfate 西南科技大学 2024-04-30 CN disclosed
CN-116081660-A Preparation method of hydrated ammonium sulfate salt 西南科技大学 2023-05-09 CN disclosed
CN-115991496-A Preparation method of hydrated magnesium ammonium sulfate 西南科技大学 2023-04-21 CN disclosed
US-10377653-B2 Removal and recovery of phosphate from liquid streams Coyne, Brian J. (US) 2019-08-13 US disclosed
US-20180029914-A1 Removal and Recovery of Phosphate from Liquid Streams COYNE, BRIAN J. 2018-02-01 US disclosed
US-9783444-B2 Removal and recovery of phosphate from liquid streams COYNE, BRIAN J. 2017-10-10 US disclosed
US-20160251248-A1 Removal and recovery of phosphate from liquid streams COYNE, BRIAN J. 2016-09-01 US disclosed
US-20150336830-A1 Removal and recovery of phosphate from liquid streams COYNE, BRIAN J. 2015-11-26 US disclosed
US-8158089-B2 Compositions and methods for wastewater treatment WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-04-17 US disclosed
US-8158089-B2 Compositions and methods for wastewater treatment WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-04-17 US disclosed
US-20090013742-A1 COMPOSITIONS AND METHODS FOR WASTEWATER TREATMENT WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-01-15 US disclosed
US-20090013742-A1 COMPOSITIONS AND METHODS FOR WASTEWATER TREATMENT WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-01-15 US disclosed
CN-1143608-A Process for producing MgSO4.H2O ZHANG ZHAOHUA (CN) 1997-02-26 CN disclosed
US-5166102-A GLASS COMPOSITIONS CONTAINING OXYGEN AND NITROGEN AND PRODUCTION OF NITROCERAMICS/VETROCERAMICS COMPOSITES THEREFROM CERAMIQUES ET COMPOSITES (FR) 1992-11-24 US disclosed
US-3960580-A OXY-BORON COMPOUNDS, EXTEND THE SETTING TIME W. R. GRACE & CO. (US) 1976-06-01 US disclosed