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Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28078729

CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC2CNC2)cc1F.CC(C)(C)OC=O

nearest known ligand 0.45

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.45
▸ SCN5A Q14524 4/20 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
SCHEMBL16770388 0.93 SCN9A (0.50) SCN9ASCN5A
Tert-Butyl Formate SCHEMBL28950756 0.92 SCN9A (0.49) SCN9ASCN5A
Tert-Butyl Formate SCHEMBL28831462 0.92 SCN9A (0.49) SCN9ASCN5A
Tert-Butyl Formate SCHEMBL28831463 0.92 SCN9A (0.49) SCN9ASCN5A
Tert-Butyl Formate SCHEMBL28078800 0.92 SCN9A (0.47) SCN9ASCN5A
Tert-Butyl Formate SCHEMBL28078723 0.85 SCN9A (0.42) SCN9ASCN5A
SCHEMBL17061952 0.84 SCN9A (0.52) SCN9ASCN5A
Tert-Butyl Formate SCHEMBL28078906 0.83 SCN9A (0.46) SCN9ASCN5A
SCHEMBL15558549 0.82 SCN9A (0.64) SCN9ASCN5A
Tert-Butyl Formate SCHEMBL28078847 0.82 SCN9A (0.49) SCN9ASCN5A

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