Water

Water

SCHEMBL2803159

O.O.[Ti].[Zr]

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 SCHEMBL9308621 1.00
Water SCHEMBL3135787 1.00
Water SCHEMBL8889468 0.87
Water SCHEMBL20512368 0.87
Water SCHEMBL5191960 0.87
Water SCHEMBL23160951 0.87
Water SCHEMBL22283795 0.87
Water SCHEMBL10624084 0.87
Water SCHEMBL8380785 0.87
Water SCHEMBL28964403 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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055985-A Composition containing metal oxide particles with reduced production of volatile aldehydes 日产化学株式会社 2024-05-17 CN claimed
CN-109847729-B Porous metal oxide-silica gel liquid chromatography packing and preparation method thereof 中国科学院大连化学物理研究所 2021-06-15 CN claimed
CN-109786390-A Three-dimensional storage element and manufacturing method thereof 萨摩亚商费洛储存科技股份有限公司 2019-05-21 CN claimed
CN-109698162-A Three-dimensional memory element and method of manufacturing the same 萨摩亚商费洛储存科技股份有限公司 2019-04-30 CN claimed
CN-208521929-U capacitor device of semiconductor integrated circuit 长鑫存储技术有限公司 2019-02-19 CN claimed
CN-208271892-U Semiconductor memory device structure 睿力集成电路有限公司 2018-12-21 CN claimed
CN-208271885-U Semiconductor capacitor device 长鑫存储技术有限公司 2018-12-21 CN claimed
CN-108550569-A Capacitive means of semiconductor integrated circuit and preparation method thereof 睿力集成电路有限公司 2018-09-18 CN claimed
CN-108538822-A Semiconductor capacitor device and preparation method thereof 睿力集成电路有限公司 2018-09-14 CN claimed
CN-108447864-A Semiconductor memory device junction structure and preparation method thereof 睿力集成电路有限公司 2018-08-24 CN claimed
CN-103562160-A Production of chemicals and fuels from biomass VIRENT INC 2014-02-05 CN claimed
CN-102824931-A Three-dimensional pore intercommunicated nano crystal mesoporous photocatalyst and preparation method thereof UNIV FUDAN 2012-12-19 CN claimed
CN-102718484-A Preparation method of lead zirconate titanate piezoelectric ceramics GUANGZHOU MORNSUN SCI & TECH 2012-10-10 CN claimed
EP-0992456-B1 PROCESS FOR PRODUCING COMPOSITE SOLS, COATING COMPOSITION, AND OPTICAL MEMBER NISSAN CHEMICAL IND LTD (JP) 2010-09-08 EP claimed
CN-100540472-C Nano-crystal large poresize mesopore oxide material and preparation method thereof UNIV FUDAN (CN) 2009-09-16 CN claimed
CN-1948161-A Nano-crystal large poresize mesopore oxide material and its preparation method UNIV FUDAN (CN) 2007-04-18 CN claimed
CN-1946470-A Catalyst system for removing nitrogen oxide and method for removing nitrogen oxide TOKYO ROKI KK (JP) 2007-04-11 CN claimed
CN-1446750-A Kinds of materials with multiple constituents of big bores oxide media and its preparing method UNIV FUDAN (CN) 2003-10-08 CN claimed
US-6296943-B1 SILICON SUBSTANCE FROM ORGANOSILICON WITH TITANIUM OXIDE, ZIRCONIUM OXIDE AND TIN OXIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-02 US claimed
EP-0992456-A1 PROCESS FOR PRODUCING COMPOSITE SOLS, COATING COMPOSITION, AND OPTICAL MEMBER Nissan Chemical Industries, Ltd. (JP) 2000-04-12 EP claimed