Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Acetic Acid Butyl Ester. 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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL27654777 | 0.97 | ALDH1A1 (0.90) | — | |
| Acetic Acid Butyl Ester SCHEMBL28702797 | 0.97 | ALDH1A1 (0.90) | — | |
| Acetic Acid Butyl Ester SCHEMBL28190244 | 0.97 | ALDH1A1 (0.90) | — | |
| Acetic Acid Butyl Ester SCHEMBL28984633 | 0.97 | ALDH1A1 (1.00) | — | |
| Acetic Acid Butyl Ester SCHEMBL28960923 | 0.97 | ALDH1A1 (1.00) | — | |
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.97 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL8026335 | 0.97 | ALDH1A1 (1.00) | — | |
| Acetic Acid Butyl Ester SCHEMBL1350194 | 0.97 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL27846501 | 0.95 | ALDH1A1 (0.86) | — | |
| Acetic Acid Butyl Ester SCHEMBL11478404 | 0.95 | ALDH1A1 (0.86) | — |
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-115608205-A | Production device and production method of nano cold-spray zinc coating | 陕西森威纳米新材料科技有限公司 | 2023-01-17 | — | — | CN | claimed |
| CN-112028849-A | Preparation method of parecoxib sodium impurity compound | 鲁南制药集团股份有限公司 | 2020-12-04 | — | — | CN | claimed |
| CN-108948898-B | Low-surface-treatment cold-spray zinc coating and preparation method thereof | 山东利特纳米新材料有限公司 | 2020-11-24 | — | — | CN | claimed |
| CN-108948898-A | A kind of low prepared surface syncretic zinc cold spray coating and preparation method thereof | 济宁利特纳米防腐材料有限公司 | 2018-12-07 | — | — | CN | claimed |
| CN-107438646-A | CURABLE SILICONE FORMULATIONS AND RELATED CURED PRODUCTS, METHODS, ARTICLES, AND DEVICES | 美国道康宁公司 | 2017-12-05 | — | — | CN | claimed |
| EP-2125691-A2 | HIGH PURITY (-) HYDROXYCITRIC ACID METAL SALT DERIVATIVES AND METHOD OF PREPARATION OF THE SAME | Vittal Mallya Scientific Research Foundation (IN) | 2009-12-02 | — | — | EP | claimed |
| WO-2008099413-A2 | HIGH PURITY (-) HYDROXYCITRIC ACID METAL SALT DERIVATIVES AND METHOD OF PREPARATION OF THE SAME | VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) | 2008-08-21 | — | — | WO | claimed |
| CN-115608205-A | Production device and production method of nano cold-spray zinc coating | 陕西森威纳米新材料科技有限公司 | 2023-01-17 | — | — | CN | disclosed |
| CN-216395303-U | Device for separating ethanol and butyl acetate | 天津新宇华创科技有限公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-111334146-B | Long-acting anticorrosion water-based cold-coating zinc coating and preparation method thereof | 南京东顶新材料科技有限公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-112521787-A | Water-based zinc-plating coating for refrigerated container | 锌盾化工无锡有限公司 | 2021-03-19 | — | — | CN | disclosed |
| CN-112390764-A | Parecoxib sodium impurity compound | 鲁南制药集团股份有限公司 | 2021-02-23 | — | — | CN | disclosed |
| CN-112028849-A | Preparation method of parecoxib sodium impurity compound | 鲁南制药集团股份有限公司 | 2020-12-04 | — | — | CN | disclosed |
| US-20100125097-A1 | COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF | MERIAL, INC. | 2010-05-20 | — | — | US | disclosed |
| EP-2125691-A2 | HIGH PURITY (-) HYDROXYCITRIC ACID METAL SALT DERIVATIVES AND METHOD OF PREPARATION OF THE SAME | Vittal Mallya Scientific Research Foundation (IN) | 2009-12-02 | — | — | EP | disclosed |
| CN-101560145-A | Method for separating chrysophanol and physcion by silica-gel column chromatography | LEI YUN SHANG PHARMACEUTICAL C (CN) | 2009-10-21 | — | — | CN | disclosed |
| US-20080293941-A1 | Method For Production Of 1-Alkyl-3-Phenyluracils | BASF AKTIENGESELLSCHAFT (DE) | 2008-11-27 | — | — | US | disclosed |
| WO-2008099413-A2 | HIGH PURITY (-) HYDROXYCITRIC ACID METAL SALT DERIVATIVES AND METHOD OF PREPARATION OF THE SAME | VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) | 2008-08-21 | — | — | WO | disclosed |
| EP-0266522-B1 | POLYIMIDE STUD TRANSFER PROCESS | International Business Machines Corporation (US) | 1992-07-15 | — | — | EP | disclosed |
| EP-0266522-A2 | Polyimide stud transfer process | International Business Machines Corporation (US) | 1988-05-11 | — | — | EP | disclosed |