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 SCHEMBL6577066 | 1.00 | CA1 (0.36) | — | |
| Water SCHEMBL2171670 | 1.00 | CA1 (0.36) | — | |
| Water SCHEMBL6905389 | 1.00 | — | — | |
| Water SCHEMBL4437080 | 1.00 | CA1 (0.36) | — | |
| Water SCHEMBL23800672 | 0.95 | — | — | |
| Water SCHEMBL3728023 | 0.95 | — | — | |
| Water SCHEMBL9137493 | 0.95 | — | — | |
| Water SCHEMBL21609754 | 0.95 | CA1 (0.33) | — | |
| Water SCHEMBL7936913 | 0.95 | — | — | |
| Water SCHEMBL7785499 | 0.95 | — | — |
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 184 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-3552610-A1 | INORGANIC COMPOSITION WITH EXCELLENT PROPERTY OF GRADUALLY RELEASING ZINC ION, AND PRODUCTION METHOD THEREFOR | JFE Mineral Company, Ltd. (JP) | 2019-10-16 | — | — | EP | claimed |
| US-8652434-B2 | Expanded percarbonate salts, methods of production and uses thereof | CHEMLINK LABORATORIES, LLC (US) | 2014-02-18 | — | — | US | claimed |
| US-20120219513-A1 | EXPANDED PERCARBONATE SALTS, METHODS OF PRODUCTION AND USES THEREOF | CHEMLINK LABORATORIES, LLC (US) | 2012-08-30 | — | — | 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 |
| CN-1660858-B | Process for preparation of dialkylphosphinic salts | CLARIANT GMBH | 2010-08-11 | — | — | CN | 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-1328590-A1 | METHOD FOR PRETREATING AND/OR COATING METALLIC SURFACES WITH A PAINT-LIKE COATING PRIOR TO FORMING AND USE OF SUBSTRATES COATED IN THIS WAY | Chemteall GmbH (DE) | 2003-07-23 | — | — | EP | claimed |
| EP-1325089-A2 | METHOD FOR PRETREATING AND COATING METAL SURFACES, PRIOR TO FORMING, WITH A PAINT-LIKE COATING AND USE OF SUBSTRATES SO COATED | Chemetall GmbH (DE) | 2003-07-09 | — | — | EP | claimed |
| WO-2002031064-A1 | METHOD FOR PRETREATING AND/OR COATING METALLIC SURFACES WITH A PAINT-LIKE COATING PRIOR TO FORMING AND USE OF SUBSTRATES COATED IN THIS WAY | CHEMETALL GMBH (DE) | 2002-04-18 | — | — | WO | claimed |
| WO-2002031065-A2 | METHOD FOR PRETREATING AND SUBSEQUENTLY COATING METALLIC SURFACES WITH A PAINT-TYPE COATING PRIOR TO FORMING AND USE OF SUBSTRATES COATED IN THIS WAY | CHEMETALL GMBH (DE) | 2002-04-18 | — | — | WO | claimed |
| WO-2002024344-A2 | METHOD FOR PRETREATING AND COATING METAL SURFACES, PRIOR TO FORMING, WITH A PAINT-LIKE COATING AND USE OF SUBSTRATES SO COATED | CHEMETALL GMBH (DE) | 2002-03-28 | — | — | WO | claimed |
| EP-0639635-B1 | Process for the preparation of a mixture of sodium silicate and further salts | CLARIANT GMBH (DE) | 2001-03-14 | — | — | EP | claimed |
| EP-0147692-B2 | POLY(ARYLENE SULFIDE) COMPOSITION AND ARTICLE OF MANUFACTURE | PHILLIPS PETROLEUM COMPANY (US) | 1992-02-26 | — | — | EP | claimed |
| EP-0147692-B1 | POLY(ARYLENE SULFIDE) COMPOSITION AND ARTICLE OF MANUFACTURE | PHILLIPS PETROLEUM COMPANY (US) | 1988-08-24 | — | — | EP | claimed |
| US-4585700-A | HYDROTALCITE; CAPACITORS | PHILLIPS PETROLEUM COMPANY (US) | 1986-04-29 | — | — | US | claimed |
| EP-0147692-A1 | Poly(arylene sulfide) composition and article of manufacture | PHILLIPS PETROLEUM COMPANY (US) | 1985-07-10 | — | — | EP | claimed |