Formic Acid Methyl Ester

Formic Acid Methyl Ester

SCHEMBL28069288

COC=O.COc1cccc(OC)c1OC

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
PRMT1 Q99873 1/20 0.47
SRC P12931 1/20 0.47
TLR2 O60603 1/20 0.47
ERN1 O75460 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
ABCB1 P08183 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2094874 0.87 NFE2L2 (0.47) NFE2L2SMN1; SMN2PRMT1SRCTLR2
Formic Acid SCHEMBL28191601 0.86 NFE2L2 (0.55) NFE2L2SMN1; SMN2PRMT1SRCTLR2
SCHEMBL28256474 0.86 NFE2L2 (0.50) NFE2L2SMN1; SMN2PRMT1SRCTLR2
SCHEMBL151213 0.85 CA1 (0.61) NFE2L2SMN1; SMN2CA12CA1CA2
SCHEMBL27753904 0.85 CA1 (0.61) NFE2L2SMN1; SMN2CA12CA1CA2
SCHEMBL25434306 0.85 CA1 (0.61) NFE2L2SMN1; SMN2CA12CA1CA2
Formaldehyde SCHEMBL28092618 0.83 SMN1; SMN2 (0.54) NFE2L2SMN1; SMN2PRMT1CA12CA1
Ammonia Solution, Strong SCHEMBL4268652 0.83 SMN1; SMN2 (0.58) NFE2L2SMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL31658961 0.83 SMN1; SMN2 (0.58) NFE2L2SMN1; SMN2CA12CA1CA2
SCHEMBL27731704 0.83 SMN1; SMN2 (0.58) NFE2L2SMN1; SMN2CA12CA1CA2

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
CN-105732375-B A kind of method that gallic acid synthesizes 3,4,5-tri-methoxybenzoate 张家界久瑞生物科技有限公司 2018-04-06 CN disclosed
CN-105732375-A Method for synthesizing methyl 3,4,5-trimethoxybenzoate from gallic acid 张家界久瑞生物科技有限公司 2016-07-06 CN disclosed