Water

Water

SCHEMBL720464

O.O.O.[K+].[K+].[K+].[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 SCHEMBL890974 1.00
Water SCHEMBL236076 1.00
Water SCHEMBL720465 1.00
Water SCHEMBL384633 1.00
Water SCHEMBL11290320 1.00
Water SCHEMBL4169204 1.00
Water SCHEMBL29155119 1.00
Water SCHEMBL4965625 1.00
Water SCHEMBL4276430 1.00
Water SCHEMBL2701729 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690699-A A kind of preparation method of water-base cutting fluid 河北九五新材料科技有限公司 2018-10-23 CN claimed
CN-107761161-A Hydrate potassium borate and hydrate potassium borate nonlinear optical crystal and preparation method and purposes 中国科学院新疆理化技术研究所 2018-03-06 CN claimed
EP-1359210-B1 Hydrated potassium borate dispersions in lubricating oil compositions CHEVRON ORONITE CO (US) 2014-06-11 EP claimed
CN-102071465-B Large-dimension non-linear optical crystal hydrated potassium borate, and preparation method and application thereof SUZHOU INST NANO TECH & NANO B 2013-01-16 CN claimed
US-8220911-B2 Inkjet recording method FUJIFILM CORPORATION (JP) 2012-07-17 US claimed
US-20120172264-A1 Additive Composition for Transmission Oil Containing Hydrated Alkali Metal Borate and Hexagonal Boron Nitride TOTAL FRANCE (FR) 2012-07-05 US claimed
CN-101514479-B Large size hydrate potassium borate nonlinear optical crystal, preparation and use thereof XINJIANG TECH INST PHYSICS CAS 2011-06-22 CN claimed
CN-102071465-A Large-dimension non-linear optical crystal hydrated potassium borate, and preparation method and application thereof SUZHOU INST NANO TECH & NANO B 2011-05-25 CN claimed
EP-1454977-B1 Methods and compositions for reducing wear in heavy-duty diesel engines CHEVRON ORONITE CO (US) 2010-12-29 EP claimed
US-20090231402-A1 INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-09-17 US claimed
US-20040176257-A1 Methods and compositions for reducing wear in heavy-duty diesel engines TAGLICH PRIVATE EQUITY, LLC 2004-09-09 US claimed
EP-1454977-A2 Methods and compositions for reducing wear in heavy-duty diesel engines Chevron Oronite Company LLC (US) 2004-09-08 EP claimed
US-6737387-B2 LOW TURBIDITY; HIGH TEMPERATURE WEAR PERFORMANCE CHEVRON ORONITE COMPANY LLC 2004-05-18 US claimed
US-20030211950-A1 DISPERSED HYDRATED POTASSIUM BORATE COMPOSITIONS HAVING IMPROVED PROPERTIES IN LUBRICATING OIL COMPOSITIONS CHEVRON ORONITE COMPANY LLC 2003-11-13 US claimed
EP-1359210-A1 Hydrated potassium borate dispersions having improved properties in lubricating oil compositions Chevron Oronite Company LLC (US) 2003-11-05 EP claimed
US-4312767-A Lubricant composition containing friction-modifying agent and antiwear agent CHEVRON RESEARCH COMPANY (US) 1982-01-26 US claimed
US-4163729-A LUBRICATING OIL CHEVRON RESEARCH COMPANY (US) 1979-08-07 US claimed
US-4100080-A HYDRATED POTASSIUM BORATE CHEVRON RESEARCH COMPANY (US) 1978-07-11 US claimed
US-4089790-A Synergistic combinations of hydrated potassium borate, antiwear agents, and organic sulfide antioxidants CHEVRON RESEARCH COMPANY (US) 1978-05-16 US claimed
US-3997454-A Lubricant containing potassium borate CHEVRON RESEARCH COMPANY (US) 1976-12-14 US claimed