Water

Water

SCHEMBL252224

O.[Ca+2].[Na+].[O-]B([O-])O.[OH-]

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 SCHEMBL22361243 0.95
Water SCHEMBL1053573 0.89 LMNA (0.33)
Water SCHEMBL5597356 0.89
Water SCHEMBL1047336 0.89 LMNA (0.33)
Water SCHEMBL2701750 0.86
Water SCHEMBL11331779 0.84 LMNA (0.30)
Water SCHEMBL2700034 0.84
Boric Acid SCHEMBL7887031 0.84 LMNA (0.44)
Water SCHEMBL2694938 0.84 LMNA (0.30)
Boric Acid SCHEMBL8461889 0.84 LMNA (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140295164-A1 WATER RESISTANT LOW FLAME-SPREAD INTUMESCENT FIRE RETARDANT COATING WEYERHAEUSER NR COMPANY (US) 2014-10-02 US claimed
WO-2010027275-A1 FERTILISER ADDITIVE FOR IMPROVING THE AGRONOMIC PERFORMANCE OF PHOSPHATE ROCK HENDERSON DONALD EDGAR (GB) 2010-03-11 WO claimed
US-12027779-B1 Two-dimensional planar and crossover-free beamforming network architecture THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2024-07-02 US disclosed
US-20230382817-A1 LIQUID SUSPENSION COMPOSITIONS AND COATED FERTILIZER PARTICLES Keystone Specialty Chemicals LLC 2023-11-30 US disclosed
EP-4231811-A1 LIQUID SUSPENSION COMPOSITIONS AND COATED FERTILIZER PARTICLES Keystone Specialty Chemicals LLC (US) 2023-08-30 EP disclosed
CN-116634868-A Liquid suspension composition and coated fertilizer granules 奇斯通特殊化学品有限公司 2023-08-22 CN disclosed
US-20230257316-A1 LIQUID SUSPENSION COMPOSITIONS AND COATED FERTILIZER PARTICLES Keystone Specialty Chemicals LLC 2023-08-17 US disclosed
US-11699862-B2 Two-dimensional planar and crossover-free beamforming network architecture THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2023-07-11 US disclosed
US-11634641-B2 Aerogel compositions for high temperature applications ASPEN AEROGELS, INC. (US) 2023-04-25 US disclosed
US-11549059-B2 Aerogel compositions with enhanced performance MIDCAP FUNDING IV TRUST 2023-01-10 US disclosed
US-11518930-B2 Methods and thermally stable aqueous borate-based cross-linking suspensions for treatment of subterranean formations UNIVAR USA INC. (US) 2022-12-06 US disclosed
US-8168304-B2 Micronized wood preservative formulations comprising boron compounds OSMOSE, INC. (US) 2012-05-01 US disclosed
US-20120004148-A1 Multifunctional Boronic Acid Crosslinking Agents and Associated Methods HALLIBURTON ENERGY SERVICES, INC. (US) 2012-01-05 US disclosed
US-20100183868-A1 Micronized wood preservative formulations comprising boron compounds OSMOSE UTILITIES SERVICES, INC. 2010-07-22 US disclosed
WO-2010027275-A1 FERTILISER ADDITIVE FOR IMPROVING THE AGRONOMIC PERFORMANCE OF PHOSPHATE ROCK HENDERSON DONALD EDGAR (GB) 2010-03-11 WO disclosed
US-20080318812-A1 OIL BASED CONCENTRATED SLURRIES AND METHODS FOR MAKING AND USING SAME CLEARWATER INTERNATIONAL, LLC (US) 2008-12-25 US disclosed
WO-2007140293-A2 AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE ASPEN AEROGELS, INC. (US) 2007-12-06 WO disclosed
US-20070272902-A1 AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE ASPEN AEROGELS, INC. (US) 2007-11-29 US disclosed
WO-2007095610-A2 MICRONIZED WOOD PRESERVATIVE FORMULATIONS COMPRISING BORON COMPOUNDS OSMOSE, INC. (US) 2007-08-23 WO disclosed
US-20060257578-A1 Micronized wood preservative formulations comprising boron compounds OSMOSE, INC. 2006-11-16 US disclosed