Water

Water

SCHEMBL1079113

C=CCOC(=O)C=C.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
SCHEMBL5167665 0.97 TSHR (0.54)
SCHEMBL19273 0.97
SCHEMBL31267242 0.97 TSHR (0.54)
SCHEMBL7154947 0.95
Fluoride SCHEMBL2542918 0.95
Charcoal, Activated SCHEMBL3744730 0.95
SCHEMBL7154955 0.95
Ethylene SCHEMBL5184263 0.95 TSHR (0.52)
Formaldehyde SCHEMBL22631565 0.95 TSHR (0.52)
Ethylene SCHEMBL461105 0.95 TSHR (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144264-A1 PROCESS FOR PREPARING STABILIZED LATICES BY EMULSION POLYMERIZATION COATEX 2011-06-16 US claimed
EP-1981920-B1 PROCESS FOR PREPARING STABILIZED LATICES BY EMULSION POLYMERIZATION ARKEMA FRANCE (FR) 2010-06-30 EP claimed
US-7635740-B2 Method for radical emulsion polymerisation using hydrosoluble alkoxyamines ARKEMA FRANCE (FR) 2009-12-22 US claimed
CN-101365732-A Method for preparing a polymeric material including a multiblock copolymer prepared by controlled free-radical polymerisation ARKEMA FRANCE (FR) 2009-02-11 CN claimed
EP-1711536-B1 METHOD FOR RADICAL EMULSION POLYMERISATION USING HYDROSOLUBLE ALKOXYAMINES ARKEMA FRANCE (FR) 2008-04-23 EP claimed
US-20070123669-A1 Method for radical emulsion polymerisation using hydrosoluble alkoxyamines ARKEMA FRANCE (FR) 2007-05-31 US claimed
US-4559293-A NONSILVER PHOTOGRAPHY;WORKABILITY;STABILITY KIMOTO & CO., LTD. (JP) 1985-12-17 US claimed
US-20240103361-A1 PROCESS FOR TRANSFER IMPRINTING ARKEMA FRANCE (FR) 2024-03-28 US disclosed
US-11880131-B2 Process for transfer imprinting ARKEMA FRANCE (FR) 2024-01-23 US disclosed
CN-111492308-B transfer printing method 阿科玛法国公司 2023-10-31 CN disclosed
CN-114127142-A Method for polymerizing a composition in the presence of a block copolymer 阿克马法国公司 2022-03-01 CN disclosed
US-20220056179-A1 COMPOSITION COMPRISING CYANOACRYLATES AND AT LEAST ONE BLOCK COPOLYMER ARKEMA FRANCE (FR) 2022-02-24 US disclosed
EP-2845887-B1 PROCESS FOR CONTROLLING THE PERIOD OF A NANOSTRUCTURED ASSEMBLAGE COMPRISING A BLEND OF BLOCK COPOLYMERS ARKEMA FRANCE (FR) 2021-07-28 EP disclosed
CN-1938338-A Method for radical emulsion polymerisation using hydrosoluble alkoxyamines ARKEMA (FR) 2007-03-28 CN disclosed
EP-1751232-A2 COMPOSITE MATERIALS BASED ON CARBON NANOTUBES AND POLYMER MATRICES AND PROCESSES FOR OBTAINING SAME Arkema France (FR) 2007-02-14 EP disclosed
US-20060142511-A1 Alkoxyamines originating from $g(b)-phoshorylated nitroxides and use thereof in radical polymerisation ARKEMA FRANCE (FR) 2006-06-29 US disclosed
WO-2005108485-A2 COMPOSITE MATERIALS BASED ON CARBON NANOTUBES AND POLYMER MATRICES AND PROCESSES FOR OBTAINING SAME ARKEMA FRANCE (FR) 2005-11-17 WO disclosed
US-4559293-A NONSILVER PHOTOGRAPHY;WORKABILITY;STABILITY KIMOTO & CO., LTD. (JP) 1985-12-17 US disclosed
US-4419438-A PHOTOCHROMIC COMPOUND, FREE RADICALS, UNSATURATED MONOMER, ACTINIC RADIATION ABSORBER TOYO BOSEKI KABUSHIKI KAISHA (JP) 1983-12-06 US disclosed
US-4057657-A ULTRAVIOLET OR IONIZING RADIATION GARNETT JOHN LYNDON 1977-11-08 US disclosed