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 SCHEMBL28661060 | 1.00 | — | — | |
| Water SCHEMBL27507711 | 1.00 | — | — | |
| Water SCHEMBL31411022 | 1.00 | — | — | |
| SCHEMBL776976 | 0.96 | — | — | |
| SCHEMBL2836890 | 0.96 | — | — | |
| SCHEMBL18675 | 0.96 | — | — | |
| SCHEMBL6230404 | 0.92 | — | — | |
| Bromide SCHEMBL11720937 | 0.92 | — | — | |
| SCHEMBL5934046 | 0.92 | — | — | |
| Fluoride SCHEMBL547535 | 0.92 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111362887-B | Method for preparing hexafluoropropylene oxide by catalytic oxidation | 天津市长芦化工新材料有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-111514923-B | Modified silicon dioxide mesoporous catalyst and preparation method thereof | 天津市长芦化工新材料有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-111892705-A | Preparation method of saturated perfluoropolyether | 中国石油化工股份有限公司 | 2020-11-06 | — | — | CN | disclosed |
| CN-111514923-A | Modified silicon dioxide mesoporous catalyst and preparation method thereof | 天津市长芦化工新材料有限公司 | 2020-08-11 | — | — | CN | disclosed |
| CN-111362887-A | Method for preparing hexafluoropropylene oxide by catalytic oxidation | 天津市长芦化工新材料有限公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-110183643-A | A kind of fluorinated systems of perfluoropolyether unstable end-group | 上海欧勒奋生物科技有限公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-110121488-A | Halogenated α-fluorine ethers manufacturing method | 中央硝子株式会社 | 2019-08-13 | — | — | CN | disclosed |
| CN-110092901-A | A kind of flaorination process of perfluoropolyether unstable end-group | 上海欧勒奋生物科技有限公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-109503341-A | The method for preparing seven carbon ketone of perfluor five-carbon ketone and perfluor simultaneously | 天津市长芦化工新材料有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-105461663-B | The device and method of hexafluoropropylene oxide is continuously prepared under a kind of temperate condition | 天津市长芦化工新材料有限公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-103715383-B | Charge storage element | 株式会社杰士汤浅国际 | 2017-11-03 | — | — | CN | disclosed |
| CN-106170520-A | Thickening and/or dust suppression coating | 3M创新有限公司 | 2016-11-30 | — | — | CN | disclosed |
| CN-106164187-A | Adhesion promoting and/or dust suppressing coating | 3M创新有限公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-100415368-C | Solid catalyst and its preparation and method of catalytic preparation epoxy propane hexafluoride | DONGYUE SHENZHOU NEW MAT CO (CN) | 2008-09-03 | — | — | CN | disclosed |
| CN-1954911-A | Solid catalyst and its preparation and method of catalytic preparation epoxy propane hexafluoride | DONGYUE SHENZHOU NEW MAT CO (CN) | 2007-05-02 | — | — | CN | disclosed |