Acetic Acid Isobutyl Ester

Acetic Acid Isobutyl Ester

SCHEMBL28095412

CC(=O)OCC(C)C.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.41
P2RX4 Q99571 1/20 0.41
RAB9A P51151 1/20 0.39
ALOX15 P16050 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 SCHEMBL1864546 0.92 TSHR (0.54) TSHRALDH1A1TDP1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL28725272 0.92 TSHR (0.54) TSHRALDH1A1TDP1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL22678 0.92
Acetic Acid Isobutyl Ester SCHEMBL27572527 0.92 TSHR (0.58) TSHRALDH1A1TDP1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL28759612 0.90 TSHR (0.52) TSHRALDH1A1TDP1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL1533352 0.90 TSHR (0.56) TSHRALDH1A1TDP1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL21641877 0.90
Acetic Acid Isobutyl Ester SCHEMBL28592812 0.90
Acetic Acid Isobutyl Ester SCHEMBL8905422 0.90
Acetic Acid Isobutyl Ester SCHEMBL18229923 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110524821-A Plasticizing apparatus, injection (mo(u)lding) machine and styling apparatus SEIKO EPSON CORP 2019-12-03 CN disclosed
CN-110171130-A The manufacturing method and styling apparatus of three-D moulding object 精工爱普生株式会社 2019-08-27 CN disclosed
CN-109479355-A Coating liquid, method for producing same, ink for electronic device production, electronic device, organic electroluminescent element, and photoelectric conversion element 柯尼卡美能达株式会社 2019-03-15 CN disclosed
CN-109421269-A Molding material supply device and three-dimensional molding device 精工爱普生株式会社 2019-03-05 CN disclosed
CN-105835360-A Three-dimensionally shaped article production member, three-dimensionally shaped article production apparatus, three-dimensionally shaped article production method, and three-dimensionally shaped article 精工爱普生株式会社 2016-08-10 CN disclosed