Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL14935657

CCC(C)=O.CCCCOC(C)=O.CCOC(C)=O

nearest known ligand 0.75

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.75
LMNA P02545 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TSHR P16473 5/20 0.48
ATM Q13315 1/20 0.47
NAAA Q02083 1/20 0.45
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
HCAR2 Q8TDS4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 1/20 0.40
CES2 O00748 1/20 0.39
SOAT1 P35610 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 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 Butyl Ester SCHEMBL28780895 0.96 ALDH1A1 (0.69) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Butyl Ester SCHEMBL19712585 0.94 ALDH1A1 (0.86) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Butyl Ester SCHEMBL1533610 0.94 ALDH1A1 (0.86) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Butyl Ester SCHEMBL4160553 0.94 ALDH1A1 (0.86) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Butyl Ester SCHEMBL301515 0.94 ALDH1A1 (0.86) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Butyl Ester SCHEMBL13518089 0.94 ALDH1A1 (0.86) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Butyl Ester SCHEMBL18262002 0.89 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Pentyl Ester SCHEMBL27781076 0.89 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Butyl Ester SCHEMBL28021488 0.89 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Butyl Ester SCHEMBL10956523 0.88 ALDH1A1 (0.69) ALDH1A1LMNAHSD17B10TSHRATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119526871-A High-plasticity INS film and application thereof 江苏理想光学科技有限公司 2025-02-28 CN disclosed
US-9777164-B2 Allergen reducing agent, and processed product, coating material, and wood building material using same PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2017-10-03 US disclosed
US-20130122319-A1 ALLERGEN REDUCING AGENT, AND PROCESSED PRODUCT, COATING MATERIAL, AND WOOD BUILDING MATERIAL USING SAME PANASONIC CORPORATION (JP) 2013-05-16 US disclosed