Water

Water

SCHEMBL7043997

O.O.O.O.O.O.O.[Ba+2].[Ba+2].[Ba+2].[O-]B([O-])[O-].[O-]B([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 SCHEMBL14814212 1.00
Water SCHEMBL9177251 1.00
Water SCHEMBL21752939 1.00
SCHEMBL1472041 0.91
SCHEMBL36427 0.91
Water SCHEMBL23860301 0.83
SCHEMBL20573454 0.83
Water SCHEMBL21752920 0.83
Water SCHEMBL23860302 0.83
Water SCHEMBL21752981 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11879047-B2 Sintered polymeric particles for porous structures TICONA LLC (US) 2024-01-23 US disclosed
US-11846097-B2 Fiber products having temperature control additives KNAUF INSULATION, INC. (US) 2023-12-19 US disclosed
US-20220089828-A1 Sintered Polymeric Particles For Porous Structures TICONA LLC (US) 2022-03-24 US disclosed
US-11192997-B2 Sintered polymeric particles for porous structures TICONA LLC (US) 2021-12-07 US disclosed
US-20180238049-A1 FIBER PRODUCTS HAVING TEMPERATURE CONTROL ADDITIVES KNAUF INSULATION INC (US) 2018-08-23 US disclosed
US-20160333573-A1 FIBER PRODUCTS HAVING TEMPERATURE CONTROL ADDITIVES KNAUF INSULATION INC (US) 2016-11-17 US disclosed
US-20160024269-A1 SINTERED POLYMERIC PARTICLES FOR POROUS STRUCTURES TICONA LLC 2016-01-28 US disclosed
US-20150330070-A1 FIBER PRODUCTS HAVING TEMPERATURE CONTROL ADDITIVES KNAUF INSULATION INC (US) 2015-11-19 US disclosed
EP-2935667-A1 LOW DENSITY FIBERS AND METHODS FOR FORMING SAME Kimberly-Clark Worldwide, Inc. (US) 2015-10-28 EP disclosed
EP-2576882-B1 FIBER PRODUCTS HAVING TEMPERATURE CONTROL ADDITIVES KNAUF INSULATION (BE) 2015-02-25 EP disclosed
US-6548562-B2 Heating a thermoplastic polyolefin elastomer, a first blowing agent and a second blowing agent, to a temperatue at which the first blowing agent releases water, to form thermoplastic polyolefin elastomer DSM N.V. (NL) 2003-04-15 US disclosed
EP-1090065-B1 FOAMED THERMOPLASTIC ELASTOMER ARTICLE AND PROCESS FOR ITS MANUFACTURING DSM NV (NL) 2003-04-02 EP disclosed
EP-0961808-B1 FOAMED THERMO-ELASTIC ARTICLE DSM NV (NL) 2002-09-25 EP disclosed
US-20020002210-A1 Foamed thermo-elastic article TEKNOR APEX COMPANY 2002-01-03 US disclosed
US-6242502-B1 HEATING THERMOPLASTIC POLYOLEFIN ELASTOMER VULCANIZATE AND WATER RELEASING COMPOUND DSM N.V. (NL) 2001-06-05 US disclosed
EP-1090065-A1 FOAMED THERMOPLASTIC ELASTOMER ARTICLE AND PROCESS FOR ITS MANUFACTURING DSM N.V. (NL) 2001-04-11 EP disclosed
WO-1999067322-A1 FOAMED THERMOPLASTIC ELASTOMER ARTICLE AND PROCESS FOR ITS MANUFACTURING DSM N.V. (NL) 1999-12-29 WO disclosed
EP-0961808-A1 FOAMED THERMO-ELASTIC ARTICLE DSM N.V. (NL) 1999-12-08 EP disclosed
WO-1998037131-A1 FOAMED THERMO-ELASTIC ARTICLE DSM N.V. (NL) 1998-08-27 WO disclosed
EP-0860465-A1 Foamed thermoplastic elastomeric article DSM N.V. (NL) 1998-08-26 EP disclosed