Water

Water

SCHEMBL490793

CC(N)C(C)(C)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 SCHEMBL27638113 1.00
SCHEMBL316571 0.96
SCHEMBL1371659 0.96
SCHEMBL1153665 0.96
Fluoride SCHEMBL11792079 0.92
Hydrochloric Acid SCHEMBL1369896 0.92
Hydrochloric Acid SCHEMBL1369701 0.92
Hydrochloric Acid SCHEMBL1369704 0.92
Bicarbonate SCHEMBL8040728 0.83 ALDH1A1 (0.42)
Water SCHEMBL2817750 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2778782-B1 Negative working radiation-sensitive elements KODAK GRAPHIC COMM GMBH (DE) 2015-12-30 EP disclosed
EP-2778782-A1 Negative working radiation-sensitive elements Kodak Graphic Communications GmbH (DE) 2014-09-17 EP disclosed
EP-2735903-A1 Negative working lithographic printing plate precursors comprising a hyperbranched binder material Eastman Kodak Company (US) 2014-05-28 EP disclosed
US-8652759-B2 Processing of lithographic printing plates with a developer solution containing a hydrophilic polymer EASTMAN KODAK COMPANY (US) 2014-02-18 US disclosed
US-8507181-B2 Method for developing and sealing of lithographic printing plates KODAK (NEAR EAST) INC. 2013-08-13 US disclosed
US-8361701-B2 Method for making lithographic plates EASTMAN KODAK COMPANY (US) 2013-01-29 US disclosed
EP-2293144-B1 Method of drying lithographic printing plates after single-step-processing EASTMAN KODAK CO (US) 2012-11-07 EP disclosed
US-20120152139-A1 METHOD AND APPARATUS FOR DRYING AFTER SINGLE-STEP-PROCESSING OF LITHOGRAPHIC PRINTING PLATES QUALEX INC. 2012-06-21 US disclosed
EP-2284005-B1 Lithographic printing plate precursors with beta-hydroxy alkylamide crosslinkers EASTMAN KODAK CO (US) 2012-05-02 EP disclosed
US-8105755-B2 Method for processing of photopolymer printing plates with overcoat EASTMAN KODAK COMPANY (US) 2012-01-31 US disclosed
WO-2006063626-A2 STABLE HIGH PH DEVELOPER KODAK POLYCHROME GRAPHICS GMBH (DE) 2006-06-22 WO disclosed
EP-1557161-A1 Method for cleansing sensitive skin using an alkanolamine Johnson &amp; Johnson Consumer Companies, Inc. (US) 2005-07-27 EP disclosed
US-20040213754-A1 Method for cleansing sensitive skin using an alkanolamine JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2004-10-28 US disclosed
EP-1295593-A1 Skin cleanser containing anti-aging active Johnson &amp; Johnson Consumer Companies, Inc. (US) 2003-03-26 EP disclosed
US-20020071818-A1 Skin cleanser containing anti-aging active JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2002-06-13 US disclosed
EP-0804753-B1 METHOD OF DEVELOPING POSITIVE PHOTORESIST AND DEVELOPING COMPOSITIONS THEREFOR CLARIANT FINANCE BVI LTD (VG) 2001-05-02 EP disclosed
US-5821036-A DEVELOPER INCLUDES AN AMMONIUM HYDROXIDE AQUEOUS BASE AND A SURFACTANT OF THE FLUORINATED ALKYL ALKOXYLATE CLASS CLARIANT FINANCE (BVI) LIMITED (VG) 1998-10-13 US disclosed
EP-0804753-A1 METHOD OF DEVELOPING POSITIVE PHOTORESIST AND COMPOSITIONS THEREFOR HOECHST CELANESE CORPORATION (US) 1997-11-05 EP disclosed
WO-1997034200-A1 PROCESS FOR DEVELOPING A POSITIVE PHOTORESIST HOECHST CELANESE CORPORATION (US) 1997-09-18 WO disclosed
WO-1996022564-A1 METHOD OF DEVELOPING POSITIVE PHOTORESIST AND COMPOSITIONS THEREFOR HOECHST CELANESE CORPORATION (US) 1996-07-25 WO disclosed