Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27935409

CC(C)(C)OC=O.NS(=O)(=O)c1ccc(NCC2CCCNC2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.45
PKM P14618 5/20 0.45
POLB P06746 3/20 0.45
GAA P10253 6/20 0.43
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 4/20 0.40
LMNA P02545 4/20 0.38
MAPK1 P28482 3/20 0.38
XBP1 P17861 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1700546 0.90 MAPT (0.52) MAPTPKMPOLBGAANPSR1
SCHEMBL29017803 0.84 MAPT (0.53) MAPTPKMPOLBGAANPSR1
SCHEMBL30451856 0.84 MAPT (0.53) MAPTPKMPOLBGAANPSR1
Tert-Butyl Formate SCHEMBL27916741 0.81 MAPT (0.46) MAPTPKMPOLBGAANPSR1
Tert-Butyl Formate SCHEMBL28092200 0.81 MAPT (0.46) MAPTPKMPOLBGAANPSR1
Tert-Butyl Formate SCHEMBL27935376 0.79 MAPT (0.48) MAPTPKMPOLBGAANPSR1
Tert-Butyl Formate SCHEMBL27916739 0.78 MAPT (0.47) MAPTPKMPOLBGAANPSR1
SCHEMBL1541487 0.78 MAPT (0.64) MAPTPKMPOLBGAANPSR1
Hydrochloric Acid SCHEMBL28666327 0.77 MAPT (0.54) MAPTPKMPOLBGAANPSR1
Tert-Butyl Formate SCHEMBL27916828 0.75 MAPT (0.43) MAPTPKMPOLBGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109966294-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-07-05 CN disclosed
CN-109897038-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-06-18 CN disclosed
CN-103282025-A Melt-extruded solid dispersions containing apoptosis-inducing agents ABBVIE INC 2013-09-04 CN disclosed