Water

Water

SCHEMBL27362890

O.[Y].[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 SCHEMBL1898764 1.00
Water SCHEMBL1358864 1.00
Water SCHEMBL1598810 1.00
Water SCHEMBL1599688 0.87
Water SCHEMBL28154539 0.87
Fluoride SCHEMBL23456586 0.87
Water SCHEMBL23456636 0.87
Water SCHEMBL22634203 0.87
Water SCHEMBL20959670 0.87
Water SCHEMBL27736166 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119553212-A High-temperature heat-insulating coating with wave absorbing performance and plasma spraying preparation method thereof 沈阳航空航天大学 2025-03-04 CN claimed
CN-115196984-B Three-dimensional braiding alumina fiber reinforced oxide ceramic matrix composite material containing interface phase and preparation method thereof 南京航空航天大学 2023-10-10 CN claimed
CN-108529672-A Chemical coprecipitation produces yttrium stable zirconium oxide spherical powder production technology used for hot spraying 苏州化联高新陶瓷材料有限公司 2018-09-14 CN claimed
CN-106000397-B A kind of preparation method and products obtained therefrom of list Rh three-way catalysts 济南大学 2018-07-27 CN claimed
CN-106000397-A Preparing method of single Rh three-way catalyst and obtained product 济南大学 2016-10-12 CN claimed
CN-105272226-A Preparation method of composite stabilized zirconia feed for injection molding by thermal release JINYE NEW MATERIAL TECHNOLOGY KUNSHAN CO LTD 2016-01-27 CN claimed
CN-101948307-B Golden yellow Y-Zr structural ceramics and preparation method thereof GANZHOU QIANDONG RARE EARTH GROUP CO LTD 2013-01-09 CN claimed
CN-101948307-A Golden yellow Y-Zr structural ceramics and preparation method thereof GANZHOU YUDONG TOMBARTHITE CO LTD 2011-01-19 CN claimed
CN-100532324-C Pink yttrium-zirconium structural ceramic and its preparation method GANZHOU QIANDONG RARE EARTH GR (CN) 2009-08-26 CN claimed
CN-101407418-A Pink yttrium-zirconium structural ceramic and preparation thereof GANZHOU QIANDONG RARE EARTH GR (CN) 2009-04-15 CN claimed
CN-1069616-C Method for preparing zirconium oxide-aluminum oxide composite and its use TIANJIN CHEMICAL ENGINEERING I (CN) 2001-08-15 CN claimed
CN-1220248-A Method for preparing zirconium oxide-aluminum oxide composite and its use TIANJIN CHEMICAL INDUSTRY INST (CN) 1999-06-23 CN claimed
CN-119553212-A High-temperature heat-insulating coating with wave absorbing performance and plasma spraying preparation method thereof 沈阳航空航天大学 2025-03-04 CN disclosed
CN-119553212-A High-temperature heat-insulating coating with wave absorbing performance and plasma spraying preparation method thereof 沈阳航空航天大学 2025-03-04 CN disclosed
CN-117362038-A Rare earth composite zirconium carbide-silicon carbide ceramic and preparation method and application thereof 中国科学院赣江创新研究院 2024-01-09 CN disclosed
CN-114014651-B Method for producing nano composite zirconia powder by hydrothermal method 王必庆 2023-10-24 CN disclosed
CN-100532324-C Pink yttrium-zirconium structural ceramic and its preparation method GANZHOU QIANDONG RARE EARTH GR (CN) 2009-08-26 CN disclosed
CN-101407418-A Pink yttrium-zirconium structural ceramic and preparation thereof GANZHOU QIANDONG RARE EARTH GR (CN) 2009-04-15 CN disclosed
CN-1069616-C Method for preparing zirconium oxide-aluminum oxide composite and its use TIANJIN CHEMICAL ENGINEERING I (CN) 2001-08-15 CN disclosed
CN-1220248-A Method for preparing zirconium oxide-aluminum oxide composite and its use TIANJIN CHEMICAL INDUSTRY INST (CN) 1999-06-23 CN disclosed