Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL3043571

CC(C)O.CCCCOC(C)=O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.82
ATM Q13315 1/20 0.50
TSHR P16473 5/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
NAAA Q02083 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRM3 P20309 1/20 0.41
TBXA2R P21731 1/20 0.41

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 Butyl Ester SCHEMBL28659965 0.96 ALDH1A1 (0.75) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Pentyl Ester SCHEMBL27737254 0.93 ALDH1A1 (0.71) ALDH1A1TSHRHCAR2NAAAMAPT
Acetic Acid Butyl Ester SCHEMBL29180184 0.92 ALDH1A1 (0.69) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL1350194 0.91
Acetic Acid Butyl Ester SCHEMBL28960923 0.91 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL14969 0.91
Acetic Acid Butyl Ester SCHEMBL8026335 0.91 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL28984633 0.91 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL8618476 0.90 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL5145835 0.90 ALDH1A1 (0.72) ALDH1A1ATMTSHRHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1754553-A Use of erythrina and its isoflavone analog compound in medicine for osteoporosis TRADITIONAL CHINESE MEDICINES (CN) 2006-04-05 CN claimed
CN-1634025-A Use of erberry and its lignanoids compound in drug for osteoporosis TRADITIONAL CHINESE MEDICINES (CN) 2005-07-06 CN claimed
CN-111116500-B Purification method of Resinard key intermediate 北京鑫开元医药科技有限公司海南分公司 2021-06-08 CN disclosed
CN-110098434-B Electrode-electrolyte double-layer flat block material in all-solid-state lithium battery and preparation method thereof 中国科学院合肥物质科学研究院 2021-04-27 CN disclosed
CN-111116500-A Purification method of Resinard key intermediate 北京鑫开元医药科技有限公司海南分公司 2020-05-08 CN disclosed
CN-110098434-A Double-deck smooth bulk of electrode-electric solution matter and preparation method thereof in solid lithium battery 中国科学院合肥物质科学研究院 2019-08-06 CN disclosed
US-9885886-B2 UV blocker loaded contact lenses UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-02-06 US disclosed
US-20170212365-A1 UV Blocker Loaded Contact Lenses UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-07-27 US disclosed
CN-106896426-A Optical film and its manufacture method, polarizer and liquid crystal display device 柯尼卡美能达株式会社 2017-06-27 CN disclosed
US-9594188-B2 UV blocker loaded contact lenses UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-03-14 US disclosed
CN-104107700-A Industrial organic exhaust gas combustion catalyst and preparation method thereof LANZHOU CHEM PHYS INST 2014-10-22 CN disclosed
EP-1146099-B1 Coating composition, method for producing the same, cured product and coating film JSR CORP (JP) 2006-03-22 EP disclosed
US-20030082167-A1 Lapid cleavage enzyme HEIDELBERG PHARMA HOLDING GMBH 2003-05-01 US disclosed
US-20020106363-A1 LIPID CLEAVAGE ENZYME HEIDELBERG PHARMA HOLDING GMBH (DE) 2002-08-08 US disclosed
EP-0305041-B1 PREPARATION OF IODONIUM AND SULFONIUM TRIFLATES International Business Machines Corporation (US) 1992-01-02 EP disclosed
US-4894279-A Wear resistant layer composed of polymer modified by organotitanium compound INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1990-01-16 US disclosed
EP-0305041-A1 Preparation of iodonium and sulfonium triflates International Business Machines Corporation (US) 1989-03-01 EP disclosed
EP-0147642-B1 ELECTROEROSION PRINT MEDIA HAVING A PROTECTIVE COATING International Business Machines Corporation (US) 1989-02-01 EP disclosed
US-4786441-A REACTING TRIMETHYLSILYL TRIFLATE WITH IODONIUM OR SULFONIUM HALIDE INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1988-11-22 US disclosed
US-4250237-A CRYSTALLIZATION EASTMAN KODAK COMPANY (US) 1981-02-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030082167-A1 Lapid cleavage enzyme LAP3, NAALAD2, ENGASE ALDH1A1 1611/4885ATM 4233/4885TSHR 4728/4885
US-20020106363-A1 LIPID CLEAVAGE ENZYME SMPD1, MMEL1, ENGASE ALDH1A1 2143/4885ATM 4100/4885TSHR 4567/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.