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.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL2173000 | 1.00 | — | — | |
| Water SCHEMBL8530451 | 0.96 | — | — | |
| Water SCHEMBL29139210 | 0.96 | — | — | |
| Water SCHEMBL29282644 | 0.96 | — | — | |
| Hydrogen Peroxide SCHEMBL18243949 | 0.96 | — | — | |
| Water SCHEMBL27937058 | 0.96 | — | — | |
| Water SCHEMBL11530776 | 0.96 | CA2 (0.47) | — | |
| Sulfuric Acid SCHEMBL2478532 | 0.96 | CA5A (0.50) | — | |
| Water SCHEMBL10408693 | 0.96 | — | — | |
| SCHEMBL11043309 | 0.95 | CA2 (0.54) | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929967-B | Phosphorus-nitrogen double salt, preparation method thereof, flame retardant and application thereof | 浙江新化化工股份有限公司 | 2023-06-06 | — | — | CN | claimed |
| EP-3297950-B1 | STABLE BASIC ELECTROLYTE MATERIAL AND SOLVENT MATERIAL CONTAINING SAME | CARLSON LAWRENCE (US) | 2020-11-04 | — | — | EP | claimed |
| US-10294104-B2 | Stable basic electrolyte material and solvent material containing same | Tygrus, LLC (US) | 2019-05-21 | — | — | US | claimed |
| US-20120064790-A1 | Ethylene Diphosphinic Acids | CLARIANT FINANCE (BVI) LIMITED (VG) | 2012-03-15 | — | — | US | claimed |
| US-8084518-B2 | Ethylenebis(hydroxyalkylphosphinic acid) and salts thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-12-27 | — | — | US | claimed |
| EP-2081942-B1 | ETHYLENE DIPHOSPHINIC ACIDS | CLARIANT FINANCE BVI LTD (VG) | 2011-12-14 | — | — | EP | claimed |
| US-20100093239-A1 | Ethylene Diphosphinic Acids | CLARIANT INTERNATIONAL LTD. (CH) | 2010-04-15 | — | — | US | claimed |
| JP-2010507570-A | — | — | 2010-03-11 | — | — | JP | claimed |
| EP-2081942-A1 | ETHYLENE DIPHOSPHINIC ACIDS | Clariant Finance (BVI) Limited (VG) | 2009-07-29 | — | — | EP | claimed |
| WO-2008043499-A1 | ETHYLENE DIPHOSPHINIC ACIDS | CLARIANT FINANCE (BVI) LIMITED (VG) | 2008-04-17 | — | — | WO | claimed |
| CN-1660858-A | Process for preparation of dialkylphosphinic salts | CLARIANT GMBH (DE) | 2005-08-31 | — | — | CN | claimed |
| US-20230261268-A1 | Acidic Surface Treatment for Multivalent Battery Metal Anode | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY | 2023-08-17 | — | — | US | disclosed |
| CN-113929967-B | Phosphorus-nitrogen double salt, preparation method thereof, flame retardant and application thereof | 浙江新化化工股份有限公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-111212871-B | Flame-retardant and color-stable polyamide molding materials | 科莱恩国际有限公司 | 2022-08-23 | — | — | CN | disclosed |
| CN-111212871-A | Flame-retardant and color-stable polyamide molding materials | 科莱恩塑料和涂料有限公司 | 2020-05-29 | — | — | CN | disclosed |
| EP-1935895-A1 | Salts made from asymmetric substituted Bis-(1-Hydroxymethyl-)phosphine acids | CLARIANT INTERNATIONAL LTD. (CH) | 2008-06-25 | — | — | EP | disclosed |
| WO-2008043499-A1 | ETHYLENE DIPHOSPHINIC ACIDS | CLARIANT FINANCE (BVI) LIMITED (VG) | 2008-04-17 | — | — | WO | disclosed |
| CN-1660858-A | Process for preparation of dialkylphosphinic salts | CLARIANT GMBH (DE) | 2005-08-31 | — | — | CN | disclosed |
| EP-0725038-B1 | Material having layered structure of hydrotalcite type, and uses thereof | SNAM PROGETTI (IT) | 2002-04-24 | — | — | EP | disclosed |
| US-4098883-A | ALUMINUM POLYHYDROXYSULFATE HYDRATE, UROGENITAL DISORDERS | DR. MADAUS & CO. (DE) | 1978-07-04 | — | — | US | disclosed |