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 SCHEMBL10821743 | 1.00 | — | — | |
| Water SCHEMBL8428255 | 1.00 | — | — | |
| Water SCHEMBL1072652 | 1.00 | — | — | |
| Water SCHEMBL10950177 | 1.00 | — | — | |
| Water SCHEMBL4756112 | 1.00 | — | — | |
| Water SCHEMBL379838 | 1.00 | — | — | |
| Water SCHEMBL6661340 | 1.00 | — | — | |
| Water SCHEMBL10939064 | 1.00 | — | — | |
| Water SCHEMBL3172620 | 1.00 | — | — | |
| Water SCHEMBL27669956 | 1.00 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2580366-B1 | PROCESS FOR SUBSTRATE COATING ON ONE OR MORE SIDES | THYSSENKRUPP IND SOLUTIONS AG (DE) | 2020-05-06 | — | — | EP | claimed |
| CN-108690005-A | The chrysamides B synthetic methods of natural products containing nitro and its diastereoisomer-compound | 兰州大学 | 2018-10-23 | — | — | CN | claimed |
| EP-1461402-B1 | METHOD AND COMPOSITION FOR IMPROVING FUEL COMBUSTION | CARROLL ASSOCIATES LLC (US) | 2009-05-27 | — | — | EP | claimed |
| US-4170605-A | Synthesis of ethylene glycol from carbon monoxide and hydrogen using a ruthenium complex catalyst and a pyridine base ligand | GULF RESEARCH AND DEVELOPMENT COMPANY (US) | 1979-10-09 | — | — | US | claimed |
| CN-113720879-B | Preparation method and application of acetone gas-sensitive material and acetone gas sensor | 华南师范大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-106164028-B | Composite metal catalyst composition and the method and apparatus for being used to prepare 1,4 cyclohexane dimethanol using it | 乐天化学株式会社 | 2019-07-26 | — | — | CN | disclosed |
| CN-108690005-A | The chrysamides B synthetic methods of natural products containing nitro and its diastereoisomer-compound | 兰州大学 | 2018-10-23 | — | — | CN | disclosed |
| CN-106999451-A | Dicyclic compound | 卡利拉制药公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-103080118-B | Ruthenium-diamine complexe and the method for producing optically active compound | TAKASAGO INTERNATIONAL CORP. (JP) | 2016-05-11 | — | — | CN | disclosed |
| CN-104402930-A | Symmetric benzimidazole ruthenium complex and preparation method thereof | UNIV KUNMING SCIENCE & TECHNOLOGY | 2015-03-11 | — | — | CN | disclosed |
| US-7358004-B2 | Carbon black, electrocatalyst carrier formed from carbon black, and electrocatalyst and electrochemical device using carrier | N. E. CHEMCAT CORPORATION (JP) | 2008-04-15 | — | — | US | disclosed |
| CN-1543451-A | Receptor modulators activated by peroxizonal proliferators (ppar) | — | 2004-11-03 | — | — | CN | disclosed |
| EP-0564568-A1 | METHOD FOR HYDROGENATING ETHYLENICALLY UNSATURATED ORGANIC COMPOUNDS, AND RUTHENIUM CATALYSERS THEREFOR. | ELF AQUITAINE (FR) | 1993-10-13 | — | — | EP | disclosed |
| EP-0332521-B1 | PROCESS FOR THE PREPARATION OF CYCLIC SULFATES | RHONE-POULENC SANTE (FR) | 1992-10-07 | — | — | EP | disclosed |
| WO-1992012110-A1 | METHOD FOR HYDROGENATING ETHYLENICALLY UNSATURATED ORGANIC COMPOUNDS, AND RUTHENIUM CATALYSERS THEREFOR | SOCIETE NATIONALE ELF AQUITAINE (FR) | 1992-07-23 | — | — | WO | disclosed |
| EP-0332521-A1 | Process for the preparation of cyclic sulfates | RHONE-POULENC SANTE (FR) | 1989-09-13 | — | — | EP | disclosed |
| EP-0192587-A1 | Process for the hydrogenation of acetic acid | RHONE-POULENC CHIMIE DE BASE (FR) | 1986-08-27 | — | — | EP | disclosed |
| US-4243610-A | Cobalt-gold promoter for ruthenium hydrogenation catalyst as in hydrogenation of unsaturated dinitriles | PHILLIPS PETROLEUM COMPANY (US) | 1981-01-06 | — | — | US | disclosed |
| US-4215019-A | Ruthenium-cobalt-gold catalyst for hydrogenation of unsaturated dinitriles | PHILLIPS PETROLEUM COMPANY (US) | 1980-07-29 | — | — | US | disclosed |
| US-4170605-A | Synthesis of ethylene glycol from carbon monoxide and hydrogen using a ruthenium complex catalyst and a pyridine base ligand | GULF RESEARCH AND DEVELOPMENT COMPANY (US) | 1979-10-09 | — | — | US | disclosed |