Water

Water

SCHEMBL224250

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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 SCHEMBL3262266 1.00
Water SCHEMBL1890746 1.00
Water SCHEMBL523014 1.00
Water SCHEMBL7164991 1.00
Water SCHEMBL3431201 0.87
Water SCHEMBL297044 0.87
Hydrochloric Acid SCHEMBL1701036 0.87
Water SCHEMBL9549349 0.87
Water SCHEMBL29458776 0.87
Water SCHEMBL1540567 0.87

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
EP-2079545-B1 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF UNIV BAR ILAN (IL) 2013-11-06 EP claimed
US-8142938-B2 Porous clusters of silver powder promoted by zirconium oxide for use as a catalyst in gas diffusion electrodes, and method for the production thereof BAR ILAN UNIVERSITY (IL) 2012-03-27 US claimed
US-20100143807-A1 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF BAR ILAN UNIVERSITY (IL) 2010-06-10 US claimed
EP-2079545-A2 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF Bar-Ilan University (IL) 2009-07-22 EP claimed
WO-2008036962-A2 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF BAR ILAN UNIVERSITY (IL) 2008-03-27 WO claimed
US-6110859-A Hybrid catalyst system for converting hydrocarbons and a method of making and using such catalyst system PHILLIPS PETROLEUM COMPANY (US) 2000-08-29 US claimed
US-6090992-A COMPRISING ALUMINA, AT LEAST ONE CARBURIZED TRANSITION METAL, AND AT LEAST ONE HALOGEN COMPONENT. PHILLIPS PETROLEUM COMPANY (US) 2000-07-18 US claimed
EP-4134414-A1 LUBRICATING OIL COMPOSITIONS CONTAINING ZIRCONIUM AND METHOD FOR PREVENTING OR REDUCING LOW SPEED PRE-IGNITION IN DIRECT INJECTED SPARK-IGNITED ENGINES Chevron U.S.A. Inc. (US) 2023-02-15 EP disclosed
EP-3652283-B1 LUBRICATING OIL COMPOSITIONS CONTAINING ZIRCONIUM AND METHOD FOR PREVENTING OR REDUCING LOW SPEED PRE-IGNITION IN DIRECT INJECTED SPARK-IGNITED ENGINES CHEVRON ORONITE CO (US) 2022-06-29 EP disclosed
EP-3652283-A1 LUBRICATING OIL COMPOSITIONS CONTAINING ZIRCONIUM AND METHOD FOR PREVENTING OR REDUCING LOW SPEED PRE-IGNITION IN DIRECT INJECTED SPARK-IGNITED ENGINES Chevron Oronite Company LLC (US) 2020-05-20 EP disclosed
WO-2019012447-A1 LUBRICATING OIL COMPOSITIONS CONTAINING ZIRCONIUM AND METHOD FOR PREVENTING OR REDUCING LOW SPEED PRE-IGNITION IN DIRECT INJECTED SPARK-IGNITED ENGINES CHEVRON ORONITE COMPANY LLC (US) 2019-01-17 WO disclosed
US-20190016986-A1 LUBRICATING OIL COMPOSITIONS CONTAINING ZIRCONIUM AND METHOD FOR PREVENTING OR REDUCING LOW SPEED PRE-IGNITION IN DIRECT INJECTED SPARK-IGNITED ENGINES CHEVRON ORONITE COMPANY LLC 2019-01-17 US disclosed
US-9941516-B2 Porous clusters of silver powder comprising zirconium oxide for use in gas diffusion electrodes, and methods of production thereof BAR ILAN UNIVERSITY (IL) 2018-04-10 US disclosed
US-20090187042-A1 METHOD FOR PRODUCING ESTER CONDENSED PRODUCT JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-07-23 US disclosed
EP-2079545-A2 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF Bar-Ilan University (IL) 2009-07-22 EP disclosed
WO-2008036962-A2 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF BAR ILAN UNIVERSITY (IL) 2008-03-27 WO disclosed
US-20070004936-A1 Method for producing ester condensed product JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-01-04 US disclosed
EP-1674444-A1 METHOD FOR PRODUCING ESTER CONDENSED PRODUCT Japan Science and Technology Agency (JP) 2006-06-28 EP disclosed
US-6110859-A Hybrid catalyst system for converting hydrocarbons and a method of making and using such catalyst system PHILLIPS PETROLEUM COMPANY (US) 2000-08-29 US disclosed
US-6090992-A COMPRISING ALUMINA, AT LEAST ONE CARBURIZED TRANSITION METAL, AND AT LEAST ONE HALOGEN COMPONENT. PHILLIPS PETROLEUM COMPANY (US) 2000-07-18 US disclosed