Water

Water

SCHEMBL60219

O.O=C(O)OO.[NaH]

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 SCHEMBL9137493 1.00
Water SCHEMBL7785499 1.00
Water SCHEMBL303842 1.00 CA1 (0.33)
Water SCHEMBL4437080 0.95 CA1 (0.36)
Water SCHEMBL6905389 0.95
SCHEMBL9639947 0.95
SCHEMBL2009308 0.95 CA1 (0.36)
SCHEMBL730619 0.95
Water SCHEMBL6577066 0.95 CA1 (0.36)
Water SCHEMBL2171670 0.95 CA1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002303-A1 TABLET BINDING COMPOSITIONS CHEMLINK LABORATORIES, LLC (US) 2017-01-05 US claimed
US-8877240-B1 Tablet binding compositions CHEMLINK LABORATORIES, LLC (US) 2014-11-04 US claimed
WO-2009126560-A2 LAUNDRY COMPOSITIONS DIAMOND CHEMICAL COMPANY, INC. (US) 2009-10-15 WO claimed
US-20080188392-A1 Laundry Compositions DIAMOND CHEMICAL COMPANY, INC. (US) 2008-08-07 US claimed
WO-2006072072-A2 LAUNDRY COMPOSITIONS DIAMOND CHEMICAL COMPANY, INC. (US) 2006-07-06 WO claimed
EP-1567632-A4 NEW CLASS OF LAUNDRY COMPOSITIONS DIAMOND CHEMICAL COMPANY INC (US) 2006-03-08 EP claimed
EP-1567632-A2 NEW CLASS OF LAUNDRY COMPOSITIONS Diamond Chemical Company, Inc. (US) 2005-08-31 EP claimed
US-20050170986-A1 Laundry compositions DIAMOND CHEMICAL COMPANY, INC. 2005-08-04 US claimed
WO-2004050810-A2 NEW CLASS OF LAUNDRY COMPOSITIONS DIAMOND CHEMICAL COMPANY, INC. (US) 2004-06-17 WO claimed
EP-3339412-B2 FAST DISSOLVING SOLID DETERGENT ECOLAB USA INC (US) 2024-03-27 EP disclosed
CN-117586986-A Compositions and methods comprising lipolytic enzyme variants 丹尼斯科美国公司 2024-02-23 CN disclosed
CN-110093330-B Compositions and methods comprising lipolytic enzyme variants 丹尼斯科美国公司 2023-11-28 CN disclosed
CN-116808249-A Photocatalyst and indoor, article, ventilation and breathing sterilizer composed of three-dimensional carrier thereof 优仕康生(天津)科技发展有限公司 2023-09-29 CN disclosed
US-11261406-B2 Fast dissolving solid detergent ECOLAB USA INC. (US) 2022-03-01 US disclosed
US-5801137-A Detergent compositions containing (poly)carboxylates, organo diphosphonic and acrylic acid derived components, and silicate THE PROCTER & GAMBLE COMPANY (US) 1998-09-01 US disclosed
EP-0740521-A1 DIACYL AND TETRAACYL PEROXIDES TO INHIBIT TRANSFER OF BLEACHABLE FOOD SOIL IN MACHINE DISHWASHING THE PROCTER & GAMBLE COMPANY (US) 1996-11-06 EP disclosed
WO-1995019132-A1 DIACYL AND TETRAACYL PEROXIDES TO INHIBIT TRANSFER OF BLEACHABLE FOOD SOIL IN MACHINE DISHWASHING THE PROCTER & GAMBLE COMPANY (US) 1995-07-20 WO disclosed
EP-0659874-A1 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1995-06-28 EP disclosed
US-4190635-A FROM SODIUM CARBONATE AND HYDROGEN PEROXIDE IN PRESENCE OF NONIONIC SURFACTANT PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1980-02-26 US disclosed
US-4022874-A Process for the production of sodium percarbonate PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-05-10 US disclosed