Water

Water

SCHEMBL859616

O.O.O=CS(=O)(=O)O

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 SCHEMBL6979342 1.00
Water SCHEMBL28917889 1.00
SCHEMBL332648 0.95
SCHEMBL5310864 0.91
SCHEMBL11800424 0.91
SCHEMBL27597704 0.91
Ammonia Solution, Strong SCHEMBL4445250 0.91
SCHEMBL11130918 0.91
SCHEMBL27941529 0.91
Formaldehyde SCHEMBL9464663 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6485851-B1 Power generation in fuel cells using liquid methanol and hydrogen peroxide CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-11-26 US claimed
EP-2827417-B1 GAS DIFFUSION LAYER WITH FLOWPATH NISSAN MOTOR (JP) 2021-01-20 EP disclosed
CN-111837272-A Catalyst for fuel cell, membrane electrode assembly for fuel cell, and fuel cell provided with same 斯泰拉化工公司 2020-10-27 CN disclosed
CN-110003412-B Method for carrying out surface modification on polyether-ether-ketone, polyether-ether-ketone material and application thereof 西南交通大学 2020-07-28 CN disclosed
US-9799903-B2 Electrocatalyst for solid polymer fuel cell NISSAN MOTOR CO., LTD. (JP) 2017-10-24 US disclosed
US-9531012-B2 Gas diffusion layer with flowpaths NISSAN MOTOR CO., LTD. (JP) 2016-12-27 US disclosed
US-20150118595-A1 GAS DIFFUSION LAYER WITH FLOWPATHS NISSAN MOTOR CO., LTD. (JP) 2015-04-30 US disclosed
EP-2827417-A1 GAS DIFFUSION LAYER WITH FLOWPATH NISSAN MOTOR CO., LTD. (JP) 2015-01-21 EP disclosed
US-20140065494-A1 FUEL CELL, METHOD FOR PRODUCING FUEL CELL, ELECTRONIC APPARATUS, NICOTINAMIDE ADENINE DINUCLEOTIDE-IMMOBILIZED ELECTRODE, NICOTINAMIDE ADENINE DINUCLEOTIDE-IMMOBILIZED CARRIER, ENZYME REACTION UTILIZATION DEVICE, PROTEIN-IMMOBILIZED ELECTRODE AND PROTEIN-IMMOBILIZED CARRIER SONY CORPORATION (JP) 2014-03-06 US disclosed
EP-2672559-A1 FUEL CELL, METHOD FOR MANUFACTURING FUEL CELL, ELECTRONIC APPARATUS, NICOTINAMIDE ADENINE DINUCLEOTIDE-IMMOBILIZED ELECTRODE, NICOTINAMIDE ADENINE DINUCLEOTIDE-IMMOBILIZED CARRIER, DEVICE USING ENZYME REACTION, PROTEIN-IMMOBILIZED ELECTRODE, AND PROTEIN-IMMOBILIZED CARRIER Sony Corporation (JP) 2013-12-11 EP disclosed
EP-1748093-A2 Polytetrafluoroethylene slit yarn and method for manufacturing same JAPAN GORE-TEX, INC. (JP) 2007-01-31 EP disclosed
WO-2006129436-A1 ELECTROLYTE MEMBRANE-ELECTRODE ASSEMBLY AND METHOD FOR PRODUCTION THEREOF NISSAN MOTOR CO., LTD. (JP) 2006-12-07 WO disclosed
US-20060231484-A1 Composites and composite membranes HARING THOMAS 2006-10-19 US disclosed
CN-1263787-C Acid-base polymer blends and their use in membrane articles UNIV STUTTGART (DE) 2006-07-12 CN disclosed
US-6759441-B1 FORMING NONBRITTLE, DURABLE FUEL CELL MATERIALS; SUCH AS DISSOLVING POLYETHERKETONE SULFONIC ACID AND AMINATED POLYSULFONE IN N-METHYLPYRROLIDONE, FORMING THIN FILM AND EVAPORATING SOLVENT UNIVERSITAT STUTTGART LEHRSTUHL UND INSTITUT FUR CHEMISCHE VERFAHRENSTECHNIK (DE) 2004-07-06 US disclosed
US-20040029015-A1 Solid electrolyte KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2004-02-12 US disclosed
US-20030175569-A1 Membrane electrode assembly, fuel cell, electrolytic cell, and solid electrolyte KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2003-09-18 US disclosed
EP-1345280-A1 Solid electrolyte with nanometre size pores KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2003-09-17 EP disclosed
US-6485851-B1 Power generation in fuel cells using liquid methanol and hydrogen peroxide CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-11-26 US disclosed
CN-1297463-A Acid-base polymer blends and use in membrane processes UNIV STUTTGART (DE) 2001-05-30 CN disclosed