Water

Water

SCHEMBL620210

O.O=CC=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 SCHEMBL1290349 1.00
Water SCHEMBL38666194 1.00 ALDH1A1 (0.83)
Water SCHEMBL2054243 1.00 ALDH1A1 (0.83)
Water SCHEMBL6944372 1.00
Water SCHEMBL1290581 1.00 ALDH1A1 (0.83)
Water SCHEMBL727069 1.00
Water SCHEMBL28586894 0.93
SCHEMBL18285 0.91
SCHEMBL724735 0.91
SCHEMBL7192523 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12226751-B2 Imidazolium ionic liquids made using cardanol extracted from cashew nutshell oil to enhance crude oil recovery in oilfields KING SAUD UNIVERSITY (SA) 2025-02-18 US claimed
US-12208370-B2 Imidazolium ionic liquids made using cardanol extracted from cashew nutshell oil to enhance crude oil recovery in oilfields KING SAUD UNIVERSITY (SA) 2025-01-28 US claimed
US-20240424478-A1 IMIDAZOLIUM IONIC LIQUIDS MADE USING CARDANOL EXTRACTED FROM CASHEW NUTSHELL OIL TO ENHANCE CRUDE OIL RECOVERY IN OILFIELDS KING SAUD UNIVERSITY (SA) 2024-12-26 US claimed
US-20240424479-A1 IMIDAZOLIUM IONIC LIQUIDS MADE USING CARDANOL EXTRACTED FROM CASHEW NUTSHELL OIL TO ENHANCE CRUDE OIL RECOVERY IN OILFIELDS KING SAUD UNIVERSITY (SA) 2024-12-26 US claimed
CN-114341423-B Human hair fiber treating agent 花王株式会社 2024-05-14 CN claimed
US-11925916-B2 Method and composition for removing uremic toxins BAXTER INTERNATIONAL INC. (US) 2024-03-12 US claimed
CN-112969531-B Methods and compositions for removing uremic toxins 巴克斯特国际公司 2023-12-08 CN claimed
CN-117120686-A Fiber treatment agent 花王株式会社 2023-11-24 CN claimed
CN-113912468-B Method for preparing 2, 2-difluoro-3-hydroxy-1, 4-diketone compound 台州学院 2023-10-03 CN claimed
CN-115260149-B Bactericide and preparation method thereof 中国石油天然气股份有限公司 2023-09-26 CN claimed
US-5489401-A Method for entrapment of active materials in chitosan RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) 1996-02-06 US claimed
EP-0548224-B1 PROCESS FOR PREPARING ALBUTEROL, ACETAL, HEMI-ACETAL, AND HYDRATES OF ARYLGLYOXAL INTERMEDIATES THEREOF SCHERING CORP (US) 1994-11-23 EP claimed
US-5283359-A Process for preparing albuterol, acetal, hemi-acetal, and hydrates of arylglyoxal intermediates thereof SCHERING CORP. (US) 1994-02-01 US claimed
EP-0548224-A1 PROCESS FOR PREPARING ALBUTEROL, ACETAL, HEMI-ACETAL, AND HYDRATES OF ARYLGLYOXAL INTERMEDIATES THEREOF. SCHERING CORP (US) 1993-06-30 EP claimed
EP-0543572-A1 Method for entrapment of active materials in chitosan RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) 1993-05-26 EP claimed
CN-1059904-A Preparation method of salbutamol and intermediate thereof SCHERING CORP (US) 1992-04-01 CN claimed
WO-1992004314-A2 PROCESS FOR PREPARING ALBUTEROL, ACETAL, HEMI-ACETAL, AND HYDRATES OF ARYLGLYOXAL INTERMEDIATES THEREOF SCHERING CORPORATION (US) 1992-03-19 WO claimed
US-4267343-A CYCLIZATION AND CONDENSATION OF A BIS/BENZOXAZOYLYL/SULFIDE WITH GLYOXAL OR A GLYOXAL DERIVATIVE CIBA-GEIGY CORPORATION (US) 1981-05-12 US claimed
US-4006189-A Process for purifying glyoxal VEBA CHEMIE AG (DT) 1977-02-01 US claimed
US-3997508-A Improvements in treatment of high-molecular-weight water-soluble compounds with glyoxal HENKEL & CIE G.M.B.H. (DT) 1976-12-14 US claimed