Acetic Acid Isobutyl Ester

Acetic Acid Isobutyl Ester

SCHEMBL28147809

CC(=O)OCC(C)C.OCCO

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
USP2 O75604 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 1/20 0.36
PRKCA P17252 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
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 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 Isobutyl Ester SCHEMBL22678 0.92
Acetic Acid Isobutyl Ester SCHEMBL27572527 0.92 TSHR (0.58) TSHRTDP1ALDH1A1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL4494304 0.90 TSHR (0.52) TSHRTDP1ALDH1A1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL2052301 0.90 TSHR (0.52) TSHRTDP1ALDH1A1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL1533352 0.90 TSHR (0.56) TSHRTDP1ALDH1A1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL18229923 0.90
Acetic Acid Isobutyl Ester SCHEMBL28806927 0.90
Acetic Acid Isobutyl Ester SCHEMBL28592812 0.90
Acetic Acid Isobutyl Ester SCHEMBL21641877 0.90
Acetic Acid Isobutyl Ester SCHEMBL8905422 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110031920-A Optical laminate 住友化学株式会社 2019-07-19 CN disclosed
CN-109975909-A Optical laminate 住友化学株式会社 2019-07-05 CN disclosed
CN-109765642-A Optical laminate 住友化学株式会社 2019-05-17 CN disclosed
CN-106827739-A Crack detection multilayer tablet and its manufacture method, crack detection multilayer tablet volume, wall processing method and concrete body 惠和株式会社 2017-06-13 CN disclosed