Water

Water

SCHEMBL2168950

N/C=C/N.O.[Co]

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 SCHEMBL27515847 0.93
Water SCHEMBL2170649 0.86
Water SCHEMBL2171862 0.86
Water SCHEMBL2168927 0.86
SCHEMBL505957 0.84
SCHEMBL2244326 0.84
SCHEMBL122068 0.84
Ammonia Solution, Strong SCHEMBL20357551 0.77
SCHEMBL8425042 0.77
Hydrochloric Acid SCHEMBL1922062 0.77

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011851-B2 Method for digesting a biomass comprising lignin together with cellulose and/or hemicellulose MAXBIOGAS GMBH (DE) 2018-07-03 US claimed
US-20150176031-A1 METHOD FOR DIGESTING A BIOMASS COMPRISING LIGNIN TOGETHER WITH CELLULOSE AND/OR HEMICELLULOSE MAXBIOGAS GMBH (DE) 2015-06-25 US claimed
US-20110201096-A1 METHOD FOR DIGESTING A BIOMASS COMPRISING LIGNIN TOGETHER WITH CELLULOSE AND/OR HEMICELLULOSE MAXBIOGAS GMBH (DE) 2011-08-18 US claimed
EP-2346927-A1 A METHOD FOR DIGESTING A BIOMASS COMPRISING LIGNIN TOGETHER WITH CELLULOSE AND/OR HEMICELLULOSE Streffer, Friedrich, Dr. (DE) 2011-07-27 EP claimed
EP-2189488-A1 A method for digesting a biomass comprising lignin together with cellulose and /or hemicellulose Streffer, Friedrich, Dr. (DE) 2010-05-26 EP claimed
WO-2010043424-A1 A METHOD FOR DIGESTING A BIOMASS COMPRISING LIGNIN TOGETHER WITH CELLULOSE AND/OR HEMICELLULOSE STREFFER FRIEDRICH (DE) 2010-04-22 WO claimed
EP-3030599-B1 METHOD FOR LIGNIN RECOVERY MAXBIOGAS GMBH (DE) 2019-06-05 EP disclosed
US-10011851-B2 Method for digesting a biomass comprising lignin together with cellulose and/or hemicellulose MAXBIOGAS GMBH (DE) 2018-07-03 US disclosed
US-9969760-B2 Method for lignin recovery LXP GROUP GMBH (DE) 2018-05-15 US disclosed
US-20160185809-A1 METHOD FOR LIGNIN RECOVERY LXP GROUP GMBH (DE) 2016-06-30 US disclosed
US-20150176031-A1 METHOD FOR DIGESTING A BIOMASS COMPRISING LIGNIN TOGETHER WITH CELLULOSE AND/OR HEMICELLULOSE MAXBIOGAS GMBH (DE) 2015-06-25 US disclosed
EP-2835391-A1 Method for lignin recovery Maxbiogas GmbH (DE) 2015-02-11 EP disclosed
US-8895290-B2 Method for digesting a biomass comprising lignin together with cellulose and/or hemicellulose MAXBIOGAS GMBH (DE) 2014-11-25 US disclosed
EP-2346927-B1 A METHOD FOR DIGESTING A BIOMASS COMPRISING LIGNIN TOGETHER WITH CELLULOSE AND/OR HEMICELLULOSE MAXBIOGAS GMBH (DE) 2014-07-30 EP disclosed
US-20110201096-A1 METHOD FOR DIGESTING A BIOMASS COMPRISING LIGNIN TOGETHER WITH CELLULOSE AND/OR HEMICELLULOSE MAXBIOGAS GMBH (DE) 2011-08-18 US disclosed
EP-2346927-A1 A METHOD FOR DIGESTING A BIOMASS COMPRISING LIGNIN TOGETHER WITH CELLULOSE AND/OR HEMICELLULOSE Streffer, Friedrich, Dr. (DE) 2011-07-27 EP disclosed
EP-2189488-A1 A method for digesting a biomass comprising lignin together with cellulose and /or hemicellulose Streffer, Friedrich, Dr. (DE) 2010-05-26 EP disclosed
WO-2010043424-A1 A METHOD FOR DIGESTING A BIOMASS COMPRISING LIGNIN TOGETHER WITH CELLULOSE AND/OR HEMICELLULOSE STREFFER FRIEDRICH (DE) 2010-04-22 WO disclosed