Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL28113623

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

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
ATM Q13315 1/20 0.46
TSHR P16473 5/20 0.43
HPGD P15428 2/20 0.43
HCAR2 Q8TDS4 3/20 0.41
ALOX15 P16050 1/20 0.38
NAAA Q02083 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34

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 SCHEMBL11668866 0.95 ALDH1A1 (0.57) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL1533608 0.83 ALDH1A1 (0.72) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL15939677 0.82 ALDH1A1 (0.86) ALDH1A1ATMTSHRHPGDHCAR2
Ethyl Acetate SCHEMBL31348100 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHCAR2ALOX15MAPT
Acetic Acid Butyl Ester SCHEMBL16738067 0.81 ALDH1A1 (0.75) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL27651035 0.81 ALDH1A1 (0.82) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL3043571 0.81 ALDH1A1 (0.82) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL1350194 0.80
Acetic Acid Butyl Ester SCHEMBL28984633 0.80 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL14969 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106133604-B Protectant composition and protectant pattern forming method 三菱瓦斯化学株式会社 2019-09-06 CN disclosed
CN-110198924-A Compound, resin, composition and pattern forming method 三菱瓦斯化学株式会社 2019-09-03 CN disclosed
CN-110023277-A Compound, resin, composition and corrosion-resisting pattern forming method and circuit pattern forming method 三菱瓦斯化学株式会社 2019-07-16 CN disclosed
CN-109790097-A Compound, resin, composition and corrosion-resisting pattern forming method and circuit pattern forming method 三菱瓦斯化学株式会社 2019-05-21 CN disclosed
CN-109715591-A Compound, resin, composition and corrosion-resisting pattern forming method and circuit pattern forming method 三菱瓦斯化学株式会社 2019-05-03 CN disclosed
CN-109715592-A Compound, resin, composition and pattern forming method 三菱瓦斯化学株式会社 2019-05-03 CN disclosed
CN-109476580-A Compound, resin, composition and pattern forming method 三菱瓦斯化学株式会社 2019-03-15 CN disclosed
CN-109415286-A COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD 三菱瓦斯化学株式会社 2019-03-01 CN disclosed
CN-106133604-A Protectant composition and protectant pattern forming method 三菱瓦斯化学株式会社 2016-11-16 CN disclosed