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Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28078906

CC(C)(C)OC=O.CC1(COc2cc(F)c(C(=O)OC(C)(C)C)cc2C2CC2)CNC1

nearest known ligand 0.46

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.46
▸ SCN5A Q14524 3/20 0.45
▸ SCN1A P35498 2/20 0.45
▸ SCN2A Q99250 2/20 0.45
▸ SCN8A Q9UQD0 2/20 0.45
▸ SCN7A Q01118 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL17061817 0.93 SCN9A (0.51) SCN9ASCN5ASCN1ASCN2ASCN8A
Tert-Butyl Formate SCHEMBL28078847 0.91 SCN9A (0.49) SCN9ASCN5ASCN1ASCN2ASCN8A
Tert-Butyl Formate SCHEMBL28078875 0.87 SCN9A (0.40) SCN9ASCN5A
Tert-Butyl Formate SCHEMBL28078729 0.83 SCN9A (0.45) SCN9ASCN5A
SCHEMBL17069393 0.83 SCN9A (0.57) SCN9ASCN5ASCN1ASCN2ASCN8A
Tert-Butyl Formate SCHEMBL28078800 0.83 SCN9A (0.47) SCN9ASCN5ASCN7A
SCHEMBL16771056 0.82 SCN9A (0.56) SCN9ASCN5ASCN1ASCN2ASCN8A
Tert-Butyl Formate SCHEMBL28078723 0.82 SCN9A (0.42) SCN9ASCN5A
SCHEMBL16448659 0.82 SCN9A (0.66) SCN9ASCN5ASCN1ASCN2ASCN8A
Hydrochloric Acid SCHEMBL16758907 0.81 SCN9A (0.55) SCN9ASCN5ASCN1ASCN2ASCN8A

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
CN-105793238-A Substituted benzamides and methods of use thereof 基因泰克公司 2016-07-20 — — CN disclosed