Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28025928

CC(C)(C)OC=O.CC[C@@H]1CN(CC(=O)O)CCN1

nearest known ligand 0.46

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
MLNR O43193 1/20 0.32
PARP1 P09874 1/20 0.30
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30
XIAP P98170 1/20 0.30

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 SCHEMBL27947060 0.86 BIRC2 (0.49) BIRC2XIAP
Tert-Butyl Formate SCHEMBL27947062 0.86 BIRC2 (0.49) BIRC2XIAP
SCHEMBL2628596 0.76 BIRC2 (0.36) BIRC2
SCHEMBL6100284 0.75 BIRC2 (0.41) BIRC2
SCHEMBL28025927 0.73 BIRC2 (0.37) BIRC2MLNR
SCHEMBL8815561 0.72 BIRC2 (0.40) BIRC2
Tert-Butyl Formate SCHEMBL28782248 0.72 TDP1 (0.43) TDP1
SCHEMBL24296905 0.72 BIRC2 (0.36) BIRC2
SCHEMBL14097349 0.72 BIRC2 (0.41) BIRC2XIAP
SCHEMBL4960304 0.71 BIRC2 (0.35) BIRC2

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-103492376-B Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LTD 2015-07-22 CN disclosed