Water

Water

SCHEMBL479588

CC(=O)ON.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
SCHEMBL30401692 0.96 ALDH1A1 (0.50)
SCHEMBL29497773 0.96
SCHEMBL29986 0.96
SCHEMBL607133 0.92
SCHEMBL8062206 0.92
SCHEMBL25229785 0.92
SCHEMBL5679314 0.92
SCHEMBL8064886 0.92
SCHEMBL4398787 0.92
Ammonia Solution, Strong SCHEMBL8128684 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104761561-A PROCESS FOR REDUCING IMPURITIES IN OXYCODONE BASE NORAMCO INC 2015-07-08 CN disclosed
WO-2013103841-A1 METHODS FOR QUANTITATIVE CHIRAL DETERMINATION OF THE d- AND l- ENANTIOMERS OF AMPHETAMINE AND METHAMPHETAMINE CLINICAL REFERENCE LABORATORY, INC. (US) 2013-07-11 WO disclosed
EP-2121699-B1 PROCESS FOR PREPARING OXYCODONE HAVING REDUCED LEVELS OF 14-HYDROXYCODEINONE NORAMCO INC (US) 2012-09-19 EP disclosed
EP-2121698-B1 PROCESS FOR REDUCING IMPURITIES IN OXYCODONE BASE NORAMCO INC (US) 2012-02-01 EP disclosed
US-8084579-B2 Silver halide emulsion for improving photographic products such as photographic paper or cellulose films FUJI FILM MANUFACTURING EUROPE B.V. (NL) 2011-12-27 US disclosed
US-8058439-B2 Process for preparing oxycodone having reduced levels of 14-hydroxycodeinone NORAMCO, INC. (US) 2011-11-15 US disclosed
US-20110144340-A1 PROCESS FOR PREPARING OXYCODONE HAVING REDUCED LEVELS OF 14- HYDROXYCODEINONE NORAMCO, LLC (FORMERLY KNOWN AS NORAMCO, INC.) 2011-06-16 US disclosed
US-7906647-B2 Heating an oxycodone base starting material having more than 100 ppm of 14-hydroxycodeinone and sodium hydrosulfite, sodium bisulfite, or sodium metabisulfite in an alcohol/water; isolating oxycodone base having less than 10 ppm of 14-hydroxycodeinone NORAMCO, INC. (US) 2011-03-15 US disclosed
US-7875719-B2 Oxidizing thebaine to produce 14-hydroxycodeinone, hydrogenating to produce oxycodone, mixing with n-butanol, basification with sodium hydroxide, isolating purified oxycodone NORAMCO, LLC (FORMERLY KNOWN AS NORAMCO, INC.) 2011-01-25 US disclosed
EP-2121699-A1 PROCESS FOR PREPARING OXYCODONE HAVING REDUCED LEVELS OF 14-HYDROXYCODEINONE NORAMCO, INC. (US) 2009-11-25 EP disclosed
US-20040254079-A1 Composition and Method for Treating a Subterranean Formation SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2004-12-16 US disclosed
WO-2004094557-A1 COMPOSITION AND METHOD FOR TREATING A SUBTERRANEAN FORMATION SCHLUMBERGER CANADA LIMITED (CA) 2004-11-04 WO disclosed
EP-0926543-B1 Silver halide emulsions with recombinant collagen suitable for photographic application and also the preparation thereof FUJI PHOTO FILM BV (NL) 2004-05-12 EP disclosed
US-20030229205-A1 Method for recombinant microorganism expression and isolation of collagen-like polypeptides FUJI PHOTO FILM B.V. 2003-12-11 US disclosed
US-6150081-A NUCLEATED WITH PEPTIZER FUJI PHOTO FILM B.V. (NL) 2000-11-21 US disclosed
EP-0926543-A1 Silver halide emulsions with recombinant collagen suitable for photographic application and also the preparation thereof Fuji Photo Film B.V. (NL) 1999-06-30 EP disclosed
US-5814226-A Method of removing heavy metal ions from a liquid with chemically active ceramic compositions with a thiol and/or amine moiety SYRACUSE UNIVERSITY (US) 1998-09-29 US disclosed
US-5616533-A Chemically active ceramic compositions with a thiol and/or amine moiety SYRACUSE UNIVERSITY (US) 1997-04-01 US disclosed
WO-1996009985-A1 CHEMICALLY ACTIVE CERAMIC COMPOSITIONS WITH A THIOL AND/OR AMINE MOIETY SYRACUSE UNIVERSITY (US) 1996-04-04 WO disclosed
EP-0083186-A2 Thiazole derivatives as H2-receptor antagonists ELI LILLY AND COMPANY (US) 1983-07-06 EP disclosed