Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27795702

CC(C)(C)OC=O.O=S(=O)(c1ccccc1OC(F)(F)F)n1ccc2cc(C3CNC3)ccc21

nearest known ligand 0.37

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.37
FABP4 P15090 2/20 0.35
HTR6 P50406 11/20 0.35
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RORC P51449 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL3326299 0.93 FGFR4 (0.39) FGFR4FABP4HTR6CYP3A4CHRM1
Tert-Butyl Formate SCHEMBL27774812 0.88 HTR6 (0.38) FABP4HTR6CYP3A4CHRM1POLB
Tert-Butyl Formate SCHEMBL27774753 0.84 HTR6 (0.42) FGFR4HTR6CYP3A4POLBL3MBTL1
Tert-Butyl Formate SCHEMBL27774772 0.84 HTR6 (0.49) HTR6CYP3A4POLBL3MBTL1
Tert-Butyl Formate SCHEMBL27795740 0.81 HTR6 (0.41) FABP4HTR6POLBL3MBTL1
Tert-Butyl Formate SCHEMBL27774743 0.81 HTR6 (0.50) HTR6CYP3A4POLBL3MBTL1RORC
SCHEMBL3325153 0.80 HTR6 (0.43) FABP4HTR6CYP3A4CHRM1
SCHEMBL3327322 0.80 HTR6 (0.39) FABP4HTR6CYP3A4CHRM1POLB
Hydrochloric Acid SCHEMBL3327844 0.79 HTR6 (0.42) FABP4HTR6CYP3A4CHRM1
SCHEMBL3327854 0.79 HTR6 (0.42) FGFR4FABP4HTR6CHRM1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679381-A Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO KG 2010-03-24 CN claimed
CN-101679381-A Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO KG 2010-03-24 CN disclosed