Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL1029758

C=O.CCCCOC(C)=O

nearest known ligand 0.90

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.90
TSHR P16473 6/20 0.56
HPGD P15428 1/20 0.56
ATM Q13315 1/20 0.54
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
NAAA Q02083 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44

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 SCHEMBL6707821 0.95 ALDH1A1 (0.90) ALDH1A1TSHRHPGDATMLMNA
Acetic Acid Butyl Ester SCHEMBL11104292 0.95 ALDH1A1 (0.90) ALDH1A1TSHRHPGDATMLMNA
Acetic Acid Butyl Ester SCHEMBL552605 0.95 ALDH1A1 (0.90) ALDH1A1TSHRHPGDATMLMNA
Acetic Acid Butyl Ester SCHEMBL28960923 0.95 ALDH1A1 (1.00) ALDH1A1TSHRHPGDATMLMNA
Acetic Acid Butyl Ester SCHEMBL28984633 0.95 ALDH1A1 (1.00) ALDH1A1TSHRHPGDATMLMNA
Acetic Acid Butyl Ester SCHEMBL14969 0.95
Acetic Acid Butyl Ester SCHEMBL8026335 0.95 ALDH1A1 (1.00) ALDH1A1TSHRHPGDATMLMNA
Acetic Acid Butyl Ester SCHEMBL1350194 0.95
Acetic Acid Butyl Ester SCHEMBL28139311 0.93 ALDH1A1 (0.86) ALDH1A1TSHRHPGDATMLMNA
Acetic Acid Butyl Ester SCHEMBL25225804 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274877-A1 CURABLE COMPOSITIONS BASED ON POLYURETIDIONES, POLYTHIOLS AND PHOTOACTIVABLE BASES AND GENERATION OF ISOCYANATES FROM URETIDIONES PPG INDUSTRIES OHIO, INC. (US) 2015-10-01 US disclosed
US-9102785-B2 Curable compositions based on polyuretidiones, polythiols and photoactivable bases and generation of isocyanates from uretidiones PPG INDUSTRIES OHIO, INC. (US) 2015-08-11 US disclosed
EP-2274358-A2 CURABLE COMPOSITIONS BASED ON POLYURETIDIONES, POLYTHIOLS AND PHOTOACTIVABLE BASES AND GENERATION OF ISOCYANATES FROM URETIDIONES PPG Industries Ohio, Inc. (US) 2011-01-19 EP disclosed
WO-2009126449-A2 CURABLE COMPOSITIONS BASED ON POLYURETIDIONES, POLYTHIOLS AND PHOTOACTIVABLE BASES AND GENERATION OF ISOCYANATES FROM URETIDIONES PPG INDUSTRIES OHIO, INC. (US) 2009-10-15 WO disclosed
US-20090258962-A1 CURABLE COMPOSITIONS BASED ON POLYURETIDIONES, POLYTHIOLS AND PHOTOACTIVABLE BASES AND GENERATION OF ISOCYANATES FROM URETIDIONES PPG INDUSTRIES OHIO, INC. (US) 2009-10-15 US disclosed
EP-1838819-A1 REDUCED RVP OXYGENATED GASOLINE COMPOSITION AND METHOD BP Corporation North America Inc. (US) 2007-10-03 EP disclosed
US-20070063155-A1 Radiation image conversion panel and method of manufacturing same FUJI PHOTO FILM CO., LTD. 2007-03-22 US disclosed
WO-2006081089-A1 REDUCED RVP OXYGENATED GASOLINE COMPOSITION AND METHOD BP CORPORATION NORTH AMERICA INC. (US) 2006-08-03 WO disclosed
US-6020455-A ADDITION-CONDENSATION COPOLYMERS BP AMOCO CORPORATION (US) 2000-02-01 US disclosed
WO-1998036009-A1 VINYL CYCLOHEXANEDIOL CONTAINING RESIN COMPOSITIONS AMOCO CORPORATION (US) 1998-08-20 WO disclosed
CN-1007256-B TIN OR BISMUTH COORDIRATED CATALYST AND THE RELEVANT COATINGS TRIGGING-SOLIDIFYING JARSELAN OIL CO (US) 1990-03-21 CN disclosed
US-4788083-A POLYURETHANES, POT LIFE ASHLAND OIL, INC. (US) 1988-11-29 US disclosed
CN-87102399-A Tin or bismuth coordination catalyst and relative coating cause and solidify 1987-10-07 CN 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 (1 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-20150274877-A1 CURABLE COMPOSITIONS BASED ON POLYURETIDIONES, POLYTHIOLS AND PHOTOACTIVABLE BASES AND GENERATION OF ISOCYANATES FROM URETIDIONES PUF60, XRCC5, XRCC6 ALDH1A1 1827/4885TSHR 4603/4885HPGD 165/4885

“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.