Water

Water

SCHEMBL9013987

O.[CaH2].[Cu].[SrH2]

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 SCHEMBL28746176 0.89
Water SCHEMBL156998 0.89
Water SCHEMBL6706641 0.89
Water SCHEMBL28764391 0.89
Water SCHEMBL1162556 0.87
Water SCHEMBL4465834 0.87
Water SCHEMBL152769 0.87
Water SCHEMBL11249340 0.87
Water SCHEMBL9350368 0.82
Water SCHEMBL887108 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117491917-A Characterization method of II-type superconductor magnetic flux vortex phase based on magneto-electric layered structure 重庆大学 2024-02-02 CN claimed
US-20210292819-A1 MULTIPLEX NUCLEIC ACID DETECTION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2021-09-23 US claimed
EP-3824099-A1 MULTIPLEX NUCLEIC ACID DETECTION Hewlett-Packard Development Company, L.P. (US) 2021-05-26 EP claimed
WO-2020122922-A1 MULTIPLEX NUCLEIC ACID DETECTION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2020-06-18 WO claimed
US-4968665-A IMPROVED THERMOCONDUCTIVITY, ELECTRICAL RESISTANCE AND MECHANICAL STRENGTH MITSUBISHI METAL CORPORATION (JP) 1990-11-06 US claimed
CN-117491917-A Characterization method of II-type superconductor magnetic flux vortex phase based on magneto-electric layered structure 重庆大学 2024-02-02 CN disclosed
US-20230402196-A1 PASSIVE MAGNETIC SHIELDING OF STRUCTURES IMMERSED IN PLASMA USING SUPERCONDUCTORS LOCKHEED MARTIN CORPORATION 2023-12-14 US disclosed
US-11776700-B2 Using superconductors to provide passive magnetic shielding of structures immersed in plasma LOCKHEED MARTIN CORPORATION (US) 2023-10-03 US disclosed
US-20210319938-A1 BENT TOROIDAL FIELD COILS TOKAMAK ENERGY LTD. (GB) 2021-10-14 US disclosed
US-20210292819-A1 MULTIPLEX NUCLEIC ACID DETECTION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2021-09-23 US disclosed
EP-3673520-B1 SUPERCONDUCTING JOINT USING EXFOLIATED REBCO TOKAMAK ENERGY LTD (GB) 2021-09-22 EP disclosed
EP-3847678-A1 BENT TOROIDAL FIELD COILS Tokamak Energy Ltd (GB) 2021-07-14 EP disclosed
EP-0545608-A2 Superconducting joint for oxide superconductor tape GENERAL ELECTRIC COMPANY (US) 1993-06-09 EP disclosed
US-5204313-A Forming precursor containing bismuth, lead, copper, calcium, strontium on substrate surface of silver, gold or platinum group metal, heating EASTMAN KODAK COMPANY (US) 1993-04-20 US disclosed
US-5192739-A METHOD OF FORMING A TAPE OF THE HIGH TEMPERATURE OXIDE SUPERCONDUCTORS GENERAL ELECTRIC COMPANY (US) 1993-03-09 US disclosed
US-5189010-A Oxides of copper, alkaline earth metal, bismuth or combination of antimony and lead, calcium, and/or lanthanide and yttrium EASTMAN KODAK COMPANY (US) 1993-02-23 US disclosed
WO-1993000712-A1 METHOD OF FORMING A TAPE OF THE HIGH TEMPERATURE OXIDE SUPERCONDUCTORS GENERAL ELECTRIC COMPANY (US) 1993-01-07 WO disclosed
US-5173678-A Formed-to-shape superconducting coil GTE LABORATORIES INCORPORATED (US) 1992-12-22 US disclosed
US-5087607-A Process for preparing superconductive thick films EASTMAN KODAK COMPANY (US) 1992-02-11 US disclosed
US-5063199-A Method of depositing thin films of high temperature Bi-Sr-Ca-Cu-O-based ceramic oxide superconductors MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-11-05 US disclosed