Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27754178

C1CCNCC1.CC(C)(C)OC=O.CO

nearest known ligand 0.54

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 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
Tert-Butyl Formate SCHEMBL27314917 0.96 TDP1 (0.59) TDP1ALDH1A1
Azepane SCHEMBL28320281 0.96 TDP1 (0.59) TDP1ALDH1A1
Azepane SCHEMBL27758894 0.96 TDP1 (0.59) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL27834364 0.94 TDP1 (0.56) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL28330480 0.94 TDP1 (0.56) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL27565884 0.94 TDP1 (0.62) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL28147817 0.91 TDP1 (0.59) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL27828387 0.90 TDP1 (0.48) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL17956883 0.89 TDP1 (0.68) TDP1
Tert-Butyl Formate SCHEMBL28055962 0.87 TDP1 (0.59) TDP1

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-101522638-A Pyridizinone derivatives CEPHALON INC (US) 2009-09-02 CN disclosed