SCHEMBL28566529

SCHEMBL28566529

CCOC(=O)C(F)(C(=O)OCC)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.41
FBP1 P09467 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TTR P02766 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
MGLL Q99685 1/20 0.39
GPR174 Q9BXC1 1/20 0.38

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
SCHEMBL142930 0.87 THRB (0.44) ATMTDP1MAPTTHRBFBP1
SCHEMBL14035563 0.87 THRB (0.44) ATMTDP1MAPTTHRBFBP1
SCHEMBL30875142 0.87 THRB (0.44) ATMTDP1MAPTTHRBFBP1
SCHEMBL2300748 0.87 THRB (0.44) ATMTDP1MAPTTHRBFBP1
SCHEMBL112748 0.85 THRB (0.45) ATMTDP1MAPTTHRBFBP1
SCHEMBL28537382 0.84 THRB (0.42) ATMTDP1MAPTTHRBFBP1
SCHEMBL11152796 0.83 NPSR1 (0.46) ATMTDP1MAPTTHRBFBP1
SCHEMBL3660772 0.82 MAPT (0.38) ATMTDP1MAPTTHRBFBP1
SCHEMBL142931 0.82 ALDH1A1 (0.56) ATMTDP1MAPTTHRBFBP1
SCHEMBL5643422 0.81 POLB (0.40) ATMTDP1MAPTTHRBFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283539-A Preparation method of 2,4, 5-trifluoro phenylacetic acid 安庆朗坤药业有限公司 2023-06-23 CN disclosed
CN-112851493-B Preparation method of 2,4, 5-trifluoro phenylacetic acid 台州臻挚生物科技有限公司 2022-09-06 CN disclosed
CN-112851493-A Preparation method of 2,4, 5-trifluorophenylacetic acid 杭州臻挚生物科技有限公司 2021-05-28 CN disclosed