Water

Water

SCHEMBL4270840

O.[Li+].[Li+].[Li+].[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 SCHEMBL4270837 1.00
Water SCHEMBL10932625 1.00
Water SCHEMBL2274331 1.00
Water SCHEMBL11137538 1.00
Water SCHEMBL4273407 1.00
Water SCHEMBL1065497 1.00
Water SCHEMBL6766280 1.00
Water SCHEMBL11313855 1.00
Water SCHEMBL21752946 1.00
Lithium Ion SCHEMBL3464915 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524895-B2 Method for producing borohydride salts HELMHOLTZ-ZENTRUM HEREON GMBH (DE) 2022-12-13 US claimed
CN-111943140-B Process for preparing borohydride salts 亥姆霍兹中心贺昂有限公司 2022-10-25 CN claimed
EP-3738924-B1 METHOD FOR PRODUCING BOROHYDRIDE SALTS HELMHOLTZ ZENTRUM HEREON GMBH (DE) 2021-07-07 EP claimed
US-20200361769-A1 METHOD FOR PRODUCING BOROHYDRIDE SALTS Helmholtz-Zentrum Geesthacht Zentrum für Material-und Küstenforschung GmbH (DE) 2020-11-19 US claimed
EP-3738924-A1 METHOD FOR PRODUCING BOROHYDRIDE SALTS Helmholtz-Zentrum Geesthacht Zentrum für Material- und Küstenforschung GmbH (DE) 2020-11-18 EP claimed
CN-111943140-A Process for preparing borohydride salts 亥姆霍兹中心盖斯特哈赫特材料及海岸研究中心有限公司 2020-11-17 CN claimed
CN-106365174-B The process units and production method of xrf analysis high-purity high-density degree lithium borate 成都开飞高能化学工业有限公司 2018-07-10 CN claimed
CN-105133012-B It is hydrated the preparation method and purposes of lithium borate nonlinear optical crystal 新疆大学 2018-06-29 CN claimed
US-8220911-B2 Inkjet recording method FUJIFILM CORPORATION (JP) 2012-07-17 US claimed
US-20090231402-A1 INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-09-17 US claimed
JP-54033299-A None JP disclosed
US-11858208-B2 Three-dimensional printing HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2024-01-02 US disclosed
US-20210189284-A1 LUBRICATING OIL COMPOSITION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2021-06-24 US disclosed
US-20200338819-A1 THREE-DIMENSIONAL PRINTING PERIDOT PRINT LLC 2020-10-29 US disclosed
EP-3708641-A1 LUBRICATING OIL COMPOSITION ExxonMobil Research and Engineering Company (US) 2020-09-16 EP disclosed
EP-1428866-A1 LUBRICATING OIL COMPOSITION Nippon Oil Corporation (JP) 2004-06-16 EP disclosed
EP-1428865-A1 LUBRICATING OIL COMPOSITION Nippon Oil Corporation (JP) 2004-06-16 EP disclosed
US-20040071630-A1 Method of generating hydrogen by reaction of borohydrides and hydrates GM Global Technology Operations LLC 2004-04-15 US disclosed
US-4261960-A ADDING AQUEOUS SLAKED LIME AND CALCIUM CHLORIDE TO PRECIPITATE CALCIUM PERBORATE AND OTHER IMPURITIES FOOTE MINERAL COMPANY (US) 1981-04-14 US disclosed
JP-S5433299-A PREPARATION OF LITHIUM BORATE AGENCY OF IND SCIENCE & TECHNOL 1979-03-10 JP disclosed