Acetic Acid Pentyl Ester

Acetic Acid Pentyl Ester

SCHEMBL7093628

CCCCCOC(C)=O.CCOC(=O)C(C)O.COc1ccccc1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
TSHR P16473 4/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
Anisole SCHEMBL7093934 0.85 TDP1 (0.50) TDP1TSHRMAPK1TP53ALDH1A1
Acetic Acid Butyl Ester SCHEMBL2465806 0.84 ALDH1A1 (0.60) TDP1TSHRMAPK1TP53CYP3A4
Hexyl Acetate SCHEMBL31434592 0.82 ALDH1A1 (0.57) TSHRALDH1A1LMNAMAPTNPSR1
Acetic Acid Butyl Ester SCHEMBL28084936 0.81 ALDH1A1 (0.43) TDP1TSHRMAPK1CYP3A4ALDH1A1
Acetic Acid Butyl Ester SCHEMBL7192567 0.79 ALDH1A1 (0.67) TDP1TSHRMAPK1ALDH1A1LMNA
Acetic Acid Butyl Ester SCHEMBL6339677 0.79 ALDH1A1 (0.67) TDP1TSHRMAPK1ALDH1A1LMNA
Anisole SCHEMBL28263420 0.78 LMNA (0.53) TP53CYP3A4ALDH1A1LMNANPC1
Anisole SCHEMBL2277975 0.78 ALDH1A1 (0.54) TDP1TSHRMAPK1TP53ALDH1A1
Acetic Acid Pentyl Ester SCHEMBL3179656 0.76 TSHR (0.57) TDP1TSHRMAPK1TP53CYP3A4
Acetic Acid Pentyl Ester SCHEMBL28177291 0.76 ELANE (0.51) TDP1TSHRMAPK1TP53CYP3A4

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
EP-0273026-B2 Solvents for Photoresist compositions SHIPLEY CO (US) 2003-08-20 EP disclosed
EP-0273026-B1 Solvents for Photoresist compositions SHIPLEY CO (US) 1996-09-11 EP disclosed
EP-0718693-A2 Photoresist compositions and components SHIPLEY COMPANY INC. (US) 1996-06-26 EP disclosed
US-5128230-A Positive working photoresist SHIPLEY COMPANY INC. (US) 1992-07-07 US disclosed