Water

Water

SCHEMBL3135787

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 SCHEMBL2803159 1.00
Water SCHEMBL9308621 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114032469-B Zirconium-containing fine-grain hot-rolled plate strip steel and preparation method thereof 东北大学 2022-05-20 CN claimed
CN-114032469-A Zirconium-containing fine-grain hot-rolled plate strip steel and preparation method thereof 东北大学 2022-02-11 CN claimed
CN-111655879-B Ti-Zr-O ternary alloy, method for producing said alloy and use related thereto 巴黎科学与文学联大-拉丁区 2021-11-23 CN claimed
CN-113025903-A Fine-grain hot-rolled plate strip steel and preparation method thereof 东北大学 2021-06-25 CN claimed
CN-111655879-A Ti-Zr-O ternary alloy, method for producing said alloy and use related thereto 巴黎科学与文学联大-拉丁区 2020-09-11 CN claimed
CN-110845235-A Lead lanthanum zirconate titanate ceramic powder and preparation method and application thereof 广东工业大学 2020-02-28 CN claimed
EP-1831107-B1 FINE LEAD-ZIRKONIUM-TITANATES AND ZIRCONIUM-TITANATES AND METHOD OF PRODUCTION USING TITANIUMDIOXIDE HYDRATE PARTICLES WITH A SPECIFIC SURFACE &gt;50 M^2/G SACHTLEBEN PIGMENT GMBH (DE) 2018-06-27 EP claimed
CN-108077310-A Preparation method of silver/titanium oxide-Zirconium sulfuride intercalation composite material and products thereof and application 上海纳米技术及应用国家工程研究中心有限公司 2018-05-29 CN claimed
CN-108031461-A A kind of titanium zirconium mixed oxide nanotube and its in-situ preparation method 北京航空航天大学 2018-05-15 CN claimed
EP-2825583-B1 METHOD FOR GRANULATING PARTICLE-CONTAINING MATERIAL OBTAINED FROM INDUSTRIAL PROCESSES, THE GRANULATE THUS PRODUCED HUNTSMAN P&A UERDINGEN GMBH (DE) 2016-09-14 EP claimed
US-9303128-B2 Method for granulating particle-containing material obtained from industrial processes, the granulate thus produced, and use thereof SACHTLEBEN PIGMENT GMBH (DE) 2016-04-05 US claimed
EP-2445849-B1 CERAMIC MATERIAL AND METHOD FOR PRODUCING THE SAME EPCOS AG (DE) 2015-08-05 EP claimed
US-20150044468-A1 METHOD FOR GRANULATING PARTICLE-CONTAINING MATERIAL OBTAINED FROM INDUSTRIAL PROCESSES, THE GRANULATE THUS PRODUCED, AND USE THEREOF GUENNEL, HORST, MR. (DE) 2015-02-12 US claimed
US-20090060831-A1 Fine-particulate lead zirconium titantes zirconium titanate hydrates and zirconium titanates and method for production thereof TRONOX PIGMENTS GMBH (DE) 2009-03-05 US claimed
CN-101164896-A Method for stabilizing anatase phase nano titanium oxide and cubic phase nano zirconium oxide DALIAN CHEMICAL PHYSICS INST (CN) 2008-04-23 CN claimed
CN-119614928-B Preparation method of superfine crystal structure solid solution oxygen reinforced Ti15Zr alloy 福州大学 2026-05-15 CN disclosed
CN-121915294-A High-strength and high-toughness zirconium-titanium-oxygen ternary alloy and preparation method thereof 河北工业大学 2026-04-24 CN disclosed
CN-101128395-A Composition making method SAKAI CHEMICAL INDUSTRY KABUSH (JP) 2008-02-20 CN disclosed
EP-1860069-A1 METHOD FOR PRODUCING COMPOSITION SAKAI CHEMICAL INDUSTRY CO., LTD., (JP) 2007-11-28 EP disclosed
US-4335961-A Refractive index measurement of optical thin-film INFICON LEYBOLD-HERAEUS (US) 1982-06-22 US disclosed