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Sugi Predict / Compounds / Flumiciorac-Pentyl

Flumiciorac-Pentyl

Flumiciorac-Pentyl

SCHEMBL22982198

C#CC(C)Oc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl.CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl

nearest known ligand 0.70

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPOX P50336 7/20 0.48
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 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
Flumiciorac-Pentyl SCHEMBL38955 0.90 PPOX (0.57) PPOXGAAPKMALDH1A1TDP1
Flumiciorac-Pentyl SCHEMBL7593852 0.84 PPOX (0.49) PPOXGAAPKMALDH1A1TDP1
Flumipropyn SCHEMBL29413729 0.84 PPOX (0.54) PPOX
Flumipropyn SCHEMBL38980 0.84 PPOX (0.54) PPOX
Flumiciorac-Pentyl SCHEMBL7581005 0.81 PPOX (0.46) PPOXGAAPKMALDH1A1TDP1
Flumiciorac-Pentyl SCHEMBL7584687 0.81 PPOX (0.47) PPOXGAAPKMALDH1A1TDP1
Flumipropyn SCHEMBL7592782 0.81 PPOX (0.44) PPOX
SCHEMBL11038400 0.81 PPOX (0.54) PPOX
SCHEMBL7956302 0.81 PPOX (0.70) PPOXGAAPKM
Flumiciorac-Pentyl SCHEMBL7580516 0.81 PPOX (0.43) PPOXGAAPKMALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021029308-A1 OXAZEPINONE DERIVATIVE, INSECTICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CONTAINING SAID DERIVATIVE, AND METHOD FOR USING SAME 日本農薬株式会社 2021-02-18 — — WO disclosed