Water

Water

SCHEMBL6736607

CCOS(=O)(=O)[O-].O.[Na+]

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
SCHEMBL884529 0.97
Water SCHEMBL28226903 0.94
Water SCHEMBL28190914 0.94
SCHEMBL7587945 0.91 CA1 (0.48)
SCHEMBL20637762 0.91 CA1 (0.48)
SCHEMBL11427865 0.91 CA1 (0.48)
SCHEMBL7927310 0.91 CA1 (0.48)
SCHEMBL11882830 0.91 CA1 (0.48)
Zinc Ion SCHEMBL2065790 0.91 CA1 (0.48)
SCHEMBL17456590 0.91 CA1 (0.48)

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-6689396-B2 Skin care product containing powder of evening primrose HUANG WEN TZU (TW) 2004-02-10 US claimed
US-20030095942-A1 Skin care product containing powder of evening primrose HUANG WEN TZU (TW) 2003-05-22 US claimed
US-20230277476-A1 SKIN COMPOSITION MARUHO CO., LTD. (JP) 2023-09-07 US disclosed
EP-4194018-A1 SKIN COMPOSITION Maruho Co., Ltd. (JP) 2023-06-14 EP disclosed
CN-108368154-B Polypeptides 诺维信公司 2023-02-03 CN disclosed
CN-112969775-A Cleaning composition 诺维信公司 2021-06-15 CN disclosed
CN-109072133-B Use of polypeptides having dnase activity for treating textiles 诺维信公司 2021-06-15 CN disclosed
CN-106164236-B Detergent composition 诺维信公司 2021-02-02 CN disclosed
CN-106164237-B Detergent composition 诺维信公司 2021-01-05 CN disclosed
CN-106795463-B Polypeptides having DNase activity for reducing static electricity 诺维信公司 2020-09-29 CN disclosed
CN-106414698-B Detergent composition 诺维信公司 2020-02-21 CN disclosed
CN-101970629-B Detergent composition containing suds boosting co-surfactant and suds stabilizing surface active polymer PROCTER & GAMBLE 2013-07-17 CN disclosed
CN-101970629-A Detergent composition containing suds boosting co-surfactant and suds stabilizing surface active polymer PROCTER & GAMBLE 2011-02-09 CN disclosed
CN-1230506-C Treatment for fabrics UNILEVER NV (NL) 2005-12-07 CN disclosed
US-6689396-B2 Skin care product containing powder of evening primrose HUANG WEN TZU (TW) 2004-02-10 US disclosed
CN-1130453-C Treatment for substrates UNILEVER NV (NL) 2003-12-10 CN disclosed
US-20030095942-A1 Skin care product containing powder of evening primrose HUANG WEN TZU (TW) 2003-05-22 US disclosed
CN-1320155-A Treatment for substrates UNILEVER NV (NL) 2001-10-31 CN disclosed
CN-1320154-A Treatment for fabrics UNILEVER NV (NL) 2001-10-31 CN disclosed
CN-1073998-C High temperature polymerization process and products therefrom ROHM & HAAS (US) 2001-10-31 CN disclosed