Water

Water

SCHEMBL1088547

O.[Tb]

nearest known ligand 0.00

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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 SCHEMBL9618365 1.00
Water SCHEMBL3725718 1.00
Water SCHEMBL28839183 0.82
Water SCHEMBL28839380 0.82
Hydrochloric Acid SCHEMBL2980201 0.82 CA4 (0.33)
Hydrochloric Acid SCHEMBL28405644 0.82
Hydrochloric Acid SCHEMBL28465055 0.82 CA4 (0.33)
Water SCHEMBL21177128 0.82
Hydrochloric Acid SCHEMBL530969 0.82
Water SCHEMBL28125399 0.82

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 301 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121573701-A Rare earth hydroxide micro-nano material with rough surface, and preparation method and application thereof 复旦大学 2026-02-27 CN claimed
CN-118877921-A Layered rare earth hydroxide nanotube cone fluorescent material and preparation method and application thereof 重庆理工大学 2024-11-01 CN claimed
CN-118461042-A Hydrogen evolution catalyst, preparation method and application 上海氢阅科技有限公司 2024-08-09 CN claimed
CN-118231612-A Rare earth element doped lithium iron manganese phosphate/carbon coated positive electrode material and preparation method and application thereof 南宁桂电电子科技研究院有限公司 2024-06-21 CN claimed
CN-113980515-B Anti-counterfeiting composite fluorescent ink material and preparation method and application thereof 杭州电子科技大学 2023-08-18 CN claimed
CN-109643799-B Composite cathode active material for lithium ion battery, method for preparing same, and lithium ion battery including cathode comprising same 三星SDI株式会社 2023-04-14 CN claimed
CN-113340925-B GOS-Tb transparent ceramic scintillation screen applied to high-resolution neutron imaging detector and preparation method thereof 中国科学院上海硅酸盐研究所 2023-03-14 CN claimed
WO-2023004585-A1 FLUOROELASTOMER COMPOSITION SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2023-02-02 WO claimed
CN-112048299-B Ce3+Doped white light LED fluorescent material and preparation method thereof 上海应用技术大学 2022-07-12 CN claimed
CN-112322292-B Eu3+Doped fluorescent material and preparation method thereof 上海应用技术大学 2022-07-12 CN claimed
US-6924062-B2 Nickel-metal hydride storage battery SANYO ELECTRIC CO., LTD. (JP) 2005-08-02 US claimed
CN-1201351-C Aluminium electrolytic capacitor and its producing mehtod MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2005-05-11 CN claimed
US-20040249043-A1 Rare earth metals for coatings with acid extenders, magnesium sulfate, calcium sulfate, barium sulfate, strontium sulfate, samarium sulfate with inorganic polymers and metal oxides CURATORS OF THE UNIVERSITY OF MISSOURI, THE 2004-12-09 US claimed
US-20040186201-A1 Corrosion resistant coatings containing carbon CURATORS OF THE UNIVERSITY OF MISSOURI, THE 2004-09-23 US claimed
WO-2004065498-A2 CORROSION RESISTANT COATINGS CONTAINING CARBON PIGMENTS UNIVERSITY OF MISSOURI CURATORS (US) 2004-08-05 WO claimed
WO-2004065497-A2 CORROSION RESISTANT COATINGS CONTAINING RARE EARTH COMPOUNDS UNIVERSITY OF MISSOURI CURATORS (US) 2004-08-05 WO claimed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US claimed
US-20030129491-A1 Power sources SANYO ELECTRIC CO., LTD. (JP) 2003-07-10 US claimed
CN-1327245-A Aluminium electrolytic capacitor and its producing mehtod MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2001-12-19 CN claimed
US-4211882-A OXIDIZING P-TOLUALDEHYDE, CATALYST CONSISTING OF A MANGANESE COMPOUND, A COBALT COMPOUND, A BROMINE COMPOUND, AND A NICKEL, IRON, CHROMIUM, OR LANTHANIDE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1980-07-08 US claimed