Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL27443716

CCCCOC(C)=O.Clc1cccc(-c2ccccc2)c1Cl

nearest known ligand 0.47

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ CNR2 P34972 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ELANE P08246 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Acetic Acid Pentyl Ester SCHEMBL27892008 0.96 CNR2 (0.47) ALDH1A1CNR2TSHRTDP1L3MBTL1
Acetic Acid Propyl Ester SCHEMBL27803486 0.92 LMNA (0.43) ALDH1A1CNR2SCN1ASCN2ASCN3A
Ethyl Acetate SCHEMBL27263183 0.86 CDC7 (0.45) ALDH1A1TDP1DHODHKDM4ECYP3A4
Ethyl Acetate SCHEMBL27447758 0.85 CDC7 (0.44) ALDH1A1TDP1DHODHKDM4ECYP3A4
Ethyl Acetate SCHEMBL27778289 0.85 CDC7 (0.44) ALDH1A1TDP1DHODHKDM4ECYP3A4
Butyl Alcohol SCHEMBL28084398 0.83 CNR2 (0.47) ALDH1A1CNR2TSHRL3MBTL1DHODH
Toluene SCHEMBL28297068 0.83 CDC7 (0.45) ALDH1A1TDP1L3MBTL1DHODHKDM4E
Acetic Acid Butyl Ester SCHEMBL27499615 0.81 ALDH1A1 (0.62) ALDH1A1CNR2TSHRTDP1L3MBTL1
Acetic Acid SCHEMBL27690930 0.81 DHODH (0.49) ALDH1A1CNR2TSHRTDP1L3MBTL1
E1501 SCHEMBL28758534 0.81 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1DHODHMAPK1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117042-B The method that phenylacetic acid is recycled in the waste liquid of 6-amino-penicillanic acid is prepared from enzyme process 国药集团大同威奇达中抗制药有限公司 2019-07-05 — — CN claimed
CN-106117042-A The method reclaiming phenylacetic acid the waste liquid of 6 aminopenicillanic acids is prepared from enzyme process 国药集团大同威奇达中抗制药有限公司 2016-11-16 — — CN claimed
CN-106117042-B The method that phenylacetic acid is recycled in the waste liquid of 6-amino-penicillanic acid is prepared from enzyme process 国药集团大同威奇达中抗制药有限公司 2019-07-05 — — CN disclosed
CN-109603780-A A kind of compound organic solvent absorbent of sponge and preparation method thereof 福州大学 2019-04-12 — — CN disclosed
CN-106925238-B A kind of sponge support type organic solvent absorbent and preparation method thereof 福州大学 2019-04-09 — — CN disclosed
CN-108863862-A The method that crude product bisphenol S is refined with pseudocumene mixed solvent 天津大学 2018-11-23 — — CN disclosed
CN-108610256-A A kind of method for continuously synthesizing of 2-Butoxyethyl acetate 辽宁奥克化学股份有限公司 2018-10-02 — — CN disclosed
CN-105131163-B A kind of VOC absorbents and preparation method thereof 福州大学 2017-08-11 — — CN disclosed
CN-106925238-A A kind of sponge support type organic solvent absorbent and preparation method thereof 福州大学 2017-07-07 — — CN disclosed
CN-106117042-A The method reclaiming phenylacetic acid the waste liquid of 6 aminopenicillanic acids is prepared from enzyme process 国药集团大同威奇达中抗制药有限公司 2016-11-16 — — CN disclosed
CN-105131163-A VOC (volatile organic compound) absorbent and preparation method thereof UNIV FUZHOU 2015-12-09 — — CN disclosed
CN-100469755-C Azeotropic distillation process for separating butanol and butyl acetate UNIV HEBEI TECHNOLOGY (CN) 2009-03-18 — — CN disclosed
CN-101024162-A Organic waste-gas adsorbant and preparing method and use HUANAN ENVIRONMENT SCIENCE INS (CN) 2007-08-29 — — CN disclosed
CN-1974529-A Azeotropic distillation process for separating butanol and butyl acetate UNIV HEBEI POLYTECHNIC (CN) 2007-06-06 — — CN disclosed
CN-1178261-C Conducting film and electronic transmitting device production method 佳能株式会社 2004-12-01 — — CN disclosed
CN-1142107-C Process for treating waste liquid of furaldehyde and recovering butyl acetate, ammonium sulfate, ammonium acetate, acetamide and acetonitrile 水志良 2004-03-17 — — CN disclosed
CN-1405826-A Conducting film and electronic transmitting device production method CANON KK (JP) 2003-03-26 — — CN disclosed
CN-1097284-C Electron-emitting device, electron source production method, and method for inspecting defects in applied liquid CANON KK (JP) 2002-12-25 — — CN disclosed
CN-1327953-A Process for treating waste liquid of furaldehyde and recovering butyl acetate, ammonium sulfate, ammonium acetate, acetamide and acetonitrile SHUI ZHILIANG (CN) 2001-12-26 — — CN disclosed
CN-1180918-A Method for producing electron-emitting device, electron source, and image-forming apparatus CANON KK (JP) 1998-05-06 — — CN disclosed
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