Water

Water

SCHEMBL3751176

O.O.O.O.O.[Ce]

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 SCHEMBL27529 1.00
Water SCHEMBL3890263 1.00
Water SCHEMBL3757657 1.00
Water SCHEMBL1562013 1.00
Water SCHEMBL22288080 1.00
Water SCHEMBL608426 1.00
Water SCHEMBL10490222 1.00
Water SCHEMBL3181554 1.00
Water SCHEMBL11265262 1.00
Water SCHEMBL2036070 1.00

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100291688-A1 COMPOSITIONS AND METHODS FOR SOLID PHASE EXTRACTION OF LIPIDS SIGMA-ALDRICH CO. (US) 2010-11-18 US claimed
US-20230115288-A1 PROCESSING FOR THE EXTRACTION OF RARE EARTH ELEMENTS RARE ELEMENT RESOURCES LTD. 2023-04-13 US disclosed
US-11345977-B2 Processing for the extraction of rare earth elements RARE ELEMENT RESOURCES LTD. (US) 2022-05-31 US disclosed
US-10322992-B2 Methods of making cerium oxide polyaniline composite nanospheres and methods of use KING ABDULAZIZ UNIVERSITY (SA) 2019-06-18 US disclosed
US-20180320248-A1 SELECTIVE EXTRACTION OF CERIUM FROM OTHER METALS RARE ELEMENT RESOURCES LTD. 2018-11-08 US disclosed
US-20180162801-A1 METHODS OF MAKING CERIUM OXIDE POLYANILINE COMPOSITE NANOSPHERES AND METHODS OF USE KING ABDULAZIZ UNIVERSITY (SA) 2018-06-14 US disclosed
US-9799908-B2 Method of preparing an electrochemical half-cell COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-10-24 US disclosed
US-20170260606-A1 PROCESSING FOR THE EXTRACTION OF RARE EARTH ELEMENTS RARE ELEMENT RESOURCES, LTD. 2017-09-14 US disclosed
US-9350025-B2 Method for producing fuel cell electrode catalyst, fuel cell electrode catalyst, and uses thereof SHOWA DENKO K.K. (JP) 2016-05-24 US disclosed
US-20160002751-A1 SELECTIVE EXTRACTION OF CERIUM FROM OTHER METALS RARE ELEMENT RESOURCES LTD 2016-01-07 US disclosed
US-20140255599-A1 METHOD OF PREPARING AN ELECTROCHEMICAL HALF-CELL COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-09-11 US disclosed
US-20130295483-A1 METHOD FOR PRODUCING FUEL CELL ELECTRODE CATALYST, FUEL CELL ELECTRODE CATALYST, AND USES THEREOF SHOWA DENKO K.K. (JP) 2013-11-07 US disclosed