Water

Water

SCHEMBL2820890

CC(N)OC(C)(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
SCHEMBL13020825 0.97
SCHEMBL149017 0.97
Bromide SCHEMBL2351776 0.93
Fluoride SCHEMBL4617197 0.93
Hydrochloric Acid SCHEMBL5153050 0.93
Oxalic Acid SCHEMBL1052753 0.81 ALDH1A1 (0.36)
SCHEMBL10643900 0.77 ALDH1A1 (0.33)
Nitric Acid SCHEMBL8210911 0.77 CA5A (0.36)
SCHEMBL16226274 0.76
SCHEMBL3312764 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944853-B2 Color inhibitor for quaternary ammonium hydroxide in non-aqueous solvent SACHEM, INC. (US) 2018-04-17 US disclosed
EP-2943465-B1 COLOR INHIBITOR FOR QUATERNARY AMMONIUM HYDROXIDE IN NON-AQUEOUS SOLVENT SACHEM INC (US) 2017-03-15 EP disclosed
US-20150353824-A1 COLOR INHIBITOR FOR QUATERNARY AMMONIUM HYDROXIDE IN NON-AQUEOUS SOLVENT SACHEM, INC. 2015-12-10 US disclosed
EP-2943465-A1 COLOR INHIBITOR FOR QUATERNARY AMMONIUM HYDROXIDE IN NON-AQUEOUS SOLVENT Sachem, Inc. (US) 2015-11-18 EP disclosed
WO-2014110308-A1 COLOR INHIBITOR FOR QUATERNARY AMMONIUM HYDROXIDE IN NON-AQUEOUS SOLVENT SACHEM, INC. (US) 2014-07-17 WO disclosed
EP-1919853-B1 REMOVAL OF METAL IONS FROM ONIUM HYDROXIDES AND ONIUM SALT SOLUTIONS SACHEM INC (US) 2010-10-27 EP disclosed
EP-1472188-B1 PURIFICATION OF ONIUM HYDROXIDES BY ELECTRODIALYSIS SACHEM INC (US) 2010-10-06 EP disclosed
EP-1235752-B1 PROCESS FOR RECOVERING ORGANIC HYDROXIDES FROM WASTE SOLUTIONS SACHEM INC (US) 2010-07-28 EP disclosed
US-7572379-B2 Removal of metal ions from onium hydroxides and onium salt solutions SACHEM, INC. (US) 2009-08-11 US disclosed
EP-1919853-A2 REMOVAL OF METAL IONS FROM ONIUM HYDROXIDES AND ONIUM SALT SOLUTIONS Sachem, Inc. (US) 2008-05-14 EP disclosed
WO-1999036363-A1 PROCESS FOR RECOVERING ONIUM HYDROXIDES FROM SOLUTIONS CONTAINING ONIUM COMPOUNDS SACHEM, INC. (US) 1999-07-22 WO disclosed
US-5910237-A Process for recovering organic hydroxides from waste solutions SACHEM, INC. (US) 1999-06-08 US disclosed
US-5868916-A Process for recovering organic hydroxides from waste solutions SACHEM, INC. (US) 1999-02-09 US disclosed
WO-1998035748-A1 PROCESS FOR RECOVERING ORGANIC HYDROXIDES FROM WASTE SOLUTIONS SACHEM, INC. (US) 1998-08-20 WO disclosed
US-5753097-A Process for purifying hydroxide compounds SACHEM, INC. (US) 1998-05-19 US disclosed
EP-0834346-A2 Process for purifying hydroxide compounds Sachem, Inc. (US) 1998-04-08 EP disclosed
EP-0834345-A2 Electrochemical process for purifying hydroxide compounds Sachem, Inc. (US) 1998-04-08 EP disclosed
US-5709790-A Electrochemical process for purifying hydroxide compounds SACHEM, INC. (US) 1998-01-20 US disclosed
EP-0652041-A2 Method for producing high purity hydroxides and alkoxides Sachem, Inc. (US) 1995-05-10 EP disclosed
US-5389211-A Method for producing high purity hydroxides and alkoxides SACHEM, INC. (US) 1995-02-14 US disclosed