Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL28118872

COC(C)=O.Cc1cc(C)cc(C)c1

nearest known ligand 0.59

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TPMT P51580 1/20 0.48
CNR2 P34972 3/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
L3MBTL1 Q9Y468 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
M-Xylene SCHEMBL21296279 0.85 LMNA (0.61) ALDH1A1MEN1KMT2ALMNAHPGD
Acetic Acid Methyl Ester SCHEMBL27818121 0.83 ALDH1A1 (0.46) ALDH1A1CNR2MEN1KMT2AMAPT
Acetic Acid Methyl Ester SCHEMBL11748064 0.82 ALDH1A1 (0.59) ALDH1A1LMNATDP1HPGDL3MBTL1
Acetic Acid Methyl Ester SCHEMBL27516763 0.82 ALDH1A1 (0.59) ALDH1A1LMNATDP1HPGDL3MBTL1
SCHEMBL28895409 0.82 ALDH1A1 (0.59) ALDH1A1TPMTCNR2MEN1KMT2A
P-Xylene SCHEMBL28141567 0.82 TDP1 (0.61) ALDH1A1MEN1KMT2AMAPTLMNA
Acetone SCHEMBL9722029 0.81 TPMT (0.58) ALDH1A1TPMTMEN1KMT2ALMNA
Methyl Carbamate SCHEMBL27909426 0.80 TPMT (0.46) ALDH1A1TPMTCNR2MAPTTDP1
Acetic Acid SCHEMBL27834373 0.78 TPMT (0.63) ALDH1A1TPMTCNR2MEN1KMT2A
Acetic Acid Methyl Ester SCHEMBL3080739 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106415379-B Liquid crystal orientation film DIC株式会社 2019-04-30 CN disclosed
CN-109415613-A Adhesive composition and cover film, flexible copper clad laminate and the bonding sheet for using it 东亚合成株式会社 2019-03-01 CN disclosed
CN-105658679-B The manufacturing method of polymerizable liquid crystal compound DIC株式会社 2018-06-22 CN disclosed
CN-105960608-B Liquid crystal display device DIC株式会社 2018-06-15 CN disclosed
CN-105579542-B Flame-retardant adhesive composition and use its cover film and flexibility coat copper plate 东亚合成株式会社 2018-05-18 CN disclosed
CN-106415379-A LIQUID CRYSTAL ALIGNMENT FILM DIC株式会社 2017-02-15 CN disclosed