Water

Water

SCHEMBL1743482

O.O.O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[Ba+2].[Ba+2]

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 SCHEMBL223198 0.95
Water SCHEMBL222476 0.95
Water SCHEMBL11143520 0.94
SCHEMBL134827 0.94
SCHEMBL1034575 0.94
Water SCHEMBL132022 0.94
Water SCHEMBL10760062 0.94
Water SCHEMBL4351117 0.94
Water SCHEMBL9475971 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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005095534-A2 FLUID LOSS ADDITIVES FOR CEMENT SLURRIES HALLIBURTON ENERGY SERVICES, INC. (US) 2005-10-13 WO claimed
US-20040244977-A1 Fluid loss additives for cement slurries HALLIBURTON ENERGY SERVICES, INC. 2004-12-09 US claimed
EP-2465910-B1 Cement compositions and methods utilizing nano-hydraulic cement HALLIBURTON ENERGY SERVICES INC (US) 2018-07-11 EP disclosed
US-10005949-B2 Cement compositions and methods utilizing nano-hydraulic cement HALLIBURTON ENERGY SERVICES, INC. (US) 2018-06-26 US disclosed
US-20170073568-A1 Cement Compositions and Methods Utilizing Nano-Hydraulic Cement HALLIBURTON ENERGY SERVICES, INC. (US) 2017-03-16 US disclosed
US-9512346-B2 Cement compositions and methods utilizing nano-hydraulic cement HALLIBURTON ENERGY SERVICES, INC. (US) 2016-12-06 US disclosed
EP-3002323-A1 SETTABLE COMPOSITIONS COMPRISING CEMENT KILN DUST AND ADDITIVE(S) AND METHOD OF USING THEM Halliburton Energy Services, Inc. (US) 2016-04-06 EP disclosed
EP-1928975-B1 SETTABLE COMPOSITION COMPRISING CEMENT KILN DUST AND ADDITIVES HALLIBURTON ENERGY SERVICES INC (US) 2015-11-04 EP disclosed
EP-1924668-B1 FOAMED SETTABLE COMPOSITIONS COMPRISING CEMENT KILN DUST, AND METHODS OF USING THEM HALLIBURTON ENERGY SERVICES INC (US) 2015-09-23 EP disclosed
EP-1957602-B1 DRILLING AND CEMENTING WITH FLUIDS CONTAINING ZEOLITE HALLIBURTON ENERGY SERV INC (US) 2012-12-19 EP disclosed
US-8333240-B2 Reduced carbon footprint settable compositions for use in subterranean formations HALLIBURTON ENERGY SERVICES, INC. (US) 2012-12-18 US disclosed
WO-2005040550-A1 ZEOLITE-CONTAINING CEMENT COMPOSITION HALLIBURTON ENERGY SERVICES, INC. (US) 2005-05-06 WO disclosed
US-20050072599-A1 Zeolite-containing remedial compositions HALLIBURTON ENERGY SERVICES, INC. 2005-04-07 US disclosed
WO-2005014754-A1 ZEOLITE-CONTAINING TREATING FLUID HALLIBURTON ENERGY SERVICES, INC. (US) 2005-02-17 WO disclosed
US-20050000734-A1 Zeolite-containing drilling fluids HALLIBURTON ENERGY SERVICES, INC. 2005-01-06 US disclosed
US-20040244977-A1 Fluid loss additives for cement slurries HALLIBURTON ENERGY SERVICES, INC. 2004-12-09 US disclosed
US-20040188092-A1 Zeolite compositions having enhanced compressive strength HILLIBURTON ENERGY SERVICES, INC. 2004-09-30 US disclosed
US-20040188091-A1 Zeolite-containing settable spotting fluids HALLIBURTON ENERGY SERVICES, INC. 2004-09-30 US disclosed
US-20040112600-A1 Zeolite-containing cement composition HALLIBURTON ENERGY SERVICES, INC. 2004-06-17 US disclosed
US-20040108113-A1 Zeolite-containing treating fluid HALLIBURTON ENERGY SERVICES, INC. 2004-06-10 US disclosed