Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL4332270

CCCCOC(C)=O.CCOCC.OCCCO

nearest known ligand 0.69

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
TSHR P16473 6/20 0.55
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 7/20 0.42
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 SCHEMBL4318088 0.96 ALDH1A1 (0.69) ALDH1A1TSHRATMLMNAHSD17B10
Acetic Acid Butyl Ester SCHEMBL23847 0.94 ALDH1A1 (0.72) ALDH1A1TSHRATMLMNAHSD17B10
Acetic Acid Butyl Ester SCHEMBL21930789 0.94 ALDH1A1 (0.72) ALDH1A1TSHRATMLMNAHSD17B10
Acetic Acid Butyl Ester SCHEMBL446697 0.92 ALDH1A1 (0.69) ALDH1A1TSHRATMLMNAHSD17B10
Acetic Acid Butyl Ester SCHEMBL37244 0.92 ALDH1A1 (0.82) ALDH1A1TSHRATMLMNAHSD17B10
Acetic Acid Butyl Ester SCHEMBL99360 0.91 ALDH1A1 (0.67) ALDH1A1TSHRATMLMNAHSD17B10
Acetic Acid Butyl Ester SCHEMBL3830941 0.91 ALDH1A1 (0.67) ALDH1A1TSHRATMLMNAHSD17B10
Acetic Acid Butyl Ester SCHEMBL11586521 0.91 ALDH1A1 (0.67) ALDH1A1TSHRATMLMNAHSD17B10
Acetic Acid Butyl Ester SCHEMBL101489 0.91 ALDH1A1 (0.67) ALDH1A1TSHRATMLMNAHSD17B10
Acetic Acid Propyl Ester SCHEMBL4320870 0.90 ALDH1A1 (0.57) ALDH1A1TSHRLMNAHSD17B10ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324831-A1 CURABLE RESIN COMPOSITION AND PROCESS FOR PRODUCING CURED COATING USING THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-31 US disclosed
EP-2048196-A1 CURABLE RESIN COMPOSITION AND METHOD FOR FORMING CURED COATING FILM Daicel Chemical Industries, Ltd. (JP) 2009-04-15 EP disclosed