Water

Water

SCHEMBL175876

[2H]O

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-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
Deuterium Oxide SCHEMBL57022 0.87
Deuterium Oxide SCHEMBL3197527 0.87
Deuterium Oxide SCHEMBL4852972 0.87
Water SCHEMBL18227032 0.87
Water SCHEMBL4378070 0.78
Deuterium Oxide SCHEMBL4423033 0.78
Water SCHEMBL18603858 0.78
Water O 15 SCHEMBL25428717 0.58
Water SCHEMBL16244 0.58
Water SCHEMBL2121635 0.58

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

Appears in 2076 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747319-A1 INKJET INKS FOR SIDE SHOOT PRINTING Kao Corporation (JP) 2026-05-27 EP claimed
US-20260128418-A1 SILICONE-BASED FIRE PROTECTION SHEET, ITS PRODUCTION PROCESS, AND BATTERY PACKAGE HAVING THE SHEET DOW SILICONES CORP (US) 2026-05-07 US claimed
WO-2026087539-A1 NEW MATERIAL IN SOLID STATE BATTERIES CARBONX IP B.V. (NL) 2026-04-30 WO claimed
EP-4725611-A1 DISSOLVED GAS FLOTATION UNIT AND METHOD OF USING THEREOF FOR WATER TREATMENT FCC Aqualia, S.A. (ES) 2026-04-15 EP claimed
US-12599545-B2 Dental adhesive composition, dental adhesive material, and dental adhesive material package TOKUYAMA DENTAL CORPORATION (JP) 2026-04-14 US claimed
EP-4524993-B1 MIXED-SPECTRUM MOLTEN SALT REACTOR (MSR) CURIO SOLUTIONS LLC (US) 2026-03-25 EP claimed
EP-4715309-A1 HEAT EXCHANGER FOR AN AIR CONDITIONING OR COOLING SYSTEM Frogomar S.r.l. (IT) 2026-03-25 EP claimed
US-12577410-B2 Rheology control agents for water-based resins and water-based paint compositions KUSUMOTO CHEMICALS, LTD. (JP) 2026-03-17 US claimed
US-12565589-B2 Primer composition CHUGOKU MARINE PAINTS, LTD. (JP) 2026-03-03 US claimed
US-20260042708-A1 PROCESS FOR PREPARING WET CONCRETE COMPOSITIONS AND A METHOD FOR CONTROLLING MIXABILITY, RHEOLOGY AND/OR OPEN TIME OF WET CONCRETE COMPOSITIONS ECOCEM MATERIALS LIMITED (IE) 2026-02-12 US claimed
WO-2006045886-A1 CONTINUOUS PROCESS FOR OBTAINING A PRODUCT COMPRISING AT LEAST ONE HYDROGEN ISOTOPE HARTONEN KARI (FI) 2006-05-04 WO claimed
US-6440710-B1 ALDOL CONDENSATION REACTION BETWEEN ALIPHATIC KETONE DONOR AND ALDEHYDE ACCEPTOR IN PRESENCE OF AQUEOUS SOLUTION ENRICHED WITH ISOTOPICALLY ENRICHED WATER THE SCRIPPS RESEARCH INSTITUTE 2002-08-27 US claimed
US-20020090047-A1 Apparatus for producing ecologically clean energy STRINGHAM ROGER (US) 2002-07-11 US claimed
CN-1055474-C Noval crystal type anhydrous 7-([1 alpha, 5 alpha, 6 alpha]-6-amino-3-azabicyclo[3,1,0]hexyl-3-group)-6-fluorine-1-(2,4-difluorophenyl PFIZER (US) 2000-08-16 CN claimed
CN-1148596-A Noval crystal type anhydrous 7-([1 alpha, 5 alpha, 6 alpha]-6-amino-3-azabicyclo[3,1,0]hexyl-3-group)-6-fluorine-1-(2,4-difluorophenyl PFIZER (US) 1997-04-30 CN claimed
EP-0407471-A4 A CATALYTIC METHOD FOR CONCENTRATING ISOTOPES 1992-03-11 EP claimed
US-4996033-A Recovering deuterium MOLECULAR TECHNOLOGY CORPORATION (US) 1991-02-26 US claimed
EP-0407471-A1 A CATALYTIC METHOD FOR CONCENTRATING ISOTOPES MOLECULAR TECHNOLOGY CORPORATION (US) 1991-01-16 EP claimed
WO-1989009182-A1 A CATALYTIC METHOD FOR CONCENTRATING ISOTOPES MOLECULAR TECHNOLOGY CORPORATION (US) 1989-10-05 WO claimed
US-4171251-A UTILIZING ISOTOPICALLY SELECTIVE PHOTODISSOCIATION OF AN ORGANIC ACID UNITED TECHNOLOGIES CORPORATION (US) 1979-10-16 US claimed