Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL7192567

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

nearest known ligand 0.67

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 5/20 0.44
ATM Q13315 1/20 0.42
HPGD P15428 2/20 0.40
HCAR2 Q8TDS4 1/20 0.38
NAAA Q02083 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36

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 SCHEMBL6339677 1.00 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10TSHRATM
Hexyl Acetate SCHEMBL31434592 0.93 ALDH1A1 (0.57) ALDH1A1LMNAHSD17B10TSHRHCAR2
Acetic Acid Butyl Ester SCHEMBL16880485 0.92 ALDH1A1 (0.72) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Isobutyl Ester SCHEMBL8937929 0.92 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Butyl Ester SCHEMBL7189377 0.92 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRATM
SCHEMBL14719488 0.90 ALDH1A1 (0.50) ALDH1A1LMNATSHRATMHPGD
Acetic Acid Butyl Ester SCHEMBL22122573 0.87 ALDH1A1 (0.69) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Butyl Ester SCHEMBL3043571 0.86 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRATM
Acetic Acid Propyl Ester SCHEMBL15390783 0.85 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRHPGD
Acetic Acid Butyl Ester SCHEMBL5145835 0.85 ALDH1A1 (0.72) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020059483-A1 COMPOSITION, FILM, OPTICAL FILTER, SOLID-STATE IMAGING DEVICE, INFRARED SENSOR, METHOD FOR MANUFACTURING OPTICAL FILTER, CAMERA MODULE, COMPOUND, AND DISPERSION COMPOSITION 富士フイルム株式会社 2020-03-26 WO disclosed
WO-2020059484-A1 COMPOSITION, FILM, OPTICAL FILTER, SOLID-STATE IMAGING ELEMENT, INFRARED SENSOR, METHOD FOR PRODUCING OPTICAL FILTER, CAMERA MODULE, COMPOUND, AND DISPERSION COMPOSITION 富士フイルム株式会社 2020-03-26 WO disclosed
CN-110449012-A The device systems of textile dyeing and finishing waste gas pollution control and treatment WUXI CHENGERXIN ENVIRONMENTAL PROTECTION EQUIPMENT TECH CO LTD 2019-11-15 CN disclosed
US-6506535-B1 A positive working photoresist composition for use in the production of semiconductor integrated circuit devices, mask for the production of integrated circuits, printed wiring boards, liquid crystal panels FUJI PHOTO FILM CO., LTD. (JP) 2003-01-14 US disclosed
US-4332834-A ORIENTATION OF POWDERS BY UNIDIRECTIONAL PULSE MAGNETIC FIELD OF STRONGER COERCIVE FORCE THAN THAT OF POWDER, FOLLOWED BY DIRECT CURRENT SONY CORPORATION (JP) 1982-06-01 US disclosed
US-4096316-A REDUCTION OF IRON, COBALT, AND NICKEL COMPOUNDS FUJI PHOTO FILM CO., LTD. (JA) 1978-06-20 US disclosed