Water

Water

SCHEMBL40252

O.[CaH2].[SrH2].[Zn]

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 SCHEMBL17941560 0.89
SCHEMBL28704500 0.87
Water SCHEMBL2396551 0.87
Water SCHEMBL28222698 0.87
Water SCHEMBL9577999 0.87
Water SCHEMBL522344 0.87
SCHEMBL37239 0.87
Water SCHEMBL11249340 0.87
Water SCHEMBL4465834 0.87
SCHEMBL11692132 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428593-B2 Threaded end of a tubular component for drilling or working hydrocarbon wells, and resulting connection VALLOUREC OIL AND GAS FRANCE (FR) 2019-10-01 US disclosed
EP-2580290-B1 THREADED END OF A TUBULAR COMPONENT FOR DRILLING OR WORKING HYDROCARBON WELLS, AND RESULTING CONNECTION VALLOUREC OIL & GAS FRANCE (FR) 2016-12-21 EP disclosed
CN-103119106-A Threaded end of a tubular component for drilling or working hydrocarbon wells, and resulting connection VALLOUREC MANNESMANN OIL & GAS 2013-05-22 CN disclosed
EP-2580290-A2 THREADED END OF A TUBULAR COMPONENT FOR DRILLING OR WORKING HYDROCARBON WELLS, AND RESULTING CONNECTION VALLOUREC MANNESMANN OIL & GAS FRANCE (FR) 2013-04-17 EP disclosed
US-20130075083-A1 THREADED END OF A TUBULAR COMPONENT FOR DRILLING OR WORKING HYDROCARBON WELLS, AND RESULTING CONNECTION NIPPON STEEL & SUMITOMO METAL CORPORATION (JP) 2013-03-28 US disclosed
WO-2011151028-A2 THREADED END OF A TUBULAR COMPONENT FOR DRILLING OR WORKING HYDROCARBON WELLS, AND RESULTING CONNECTION VALLOUREC MANNESMANN OIL & GAS FRANCE (FR) 2011-12-08 WO disclosed
US-7250076-B2 Use of MoO3 as corrosion inhibitor, and coating composition containing such an inhibitor DACRAL (FR) 2007-07-31 US disclosed
US-7118807-B2 Metal substrate with an anti-corrosion coating formed by curing a mixture of: metal particles, an organic solvent, a thickener (e.g., a cellulose derivative), a silane-based binder (especially 3-(glycidyloxypropyl)trimethoxysilane), molybdenum oxide, and water. DACRAL, S.A. (FR) 2006-10-10 US disclosed
US-7081157-B2 Use of MoO3 as corrosion inhibitor, and coating composition containing such an inhibitor DACRAL (FR) 2006-07-25 US disclosed
US-20060112849-A1 Use of MoO3 as corrosion inhibitor, and coating composition containing such as inhibitor MAZE ETIENNE 2006-06-01 US disclosed