Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28096891

CC(C)(C)OC=O.CC(C)N1CCNCC1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HRH3 Q9Y5N1 2/20 0.32
OPRD1 P41143 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 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 SCHEMBL28295231 0.84 TDP1 (0.45) TDP1CHRM2CHRM1OPRD1MEN1
Tert-Butyl Formate SCHEMBL27615779 0.83 TDP1 (0.41) TDP1CHRM2CHRM1HRH3OPRD1
Tert-Butyl Formate SCHEMBL27787993 0.82 TDP1 (0.39) TDP1CHRM2CHRM1HRH3OPRD1
Tert-Butyl Formate SCHEMBL27742763 0.79 TDP1 (0.52) TDP1
Tert-Butyl Formate SCHEMBL28331255 0.78 TDP1 (0.68) TDP1
Tert-Butyl Formate SCHEMBL28092916 0.78 TDP1 (0.68) TDP1
Tert-Butyl Formate SCHEMBL27473155 0.78 TDP1 (0.68) TDP1
Tert-Butyl Formate SCHEMBL27606011 0.76 TDP1 (0.65) TDP1
Tert-Butyl Formate SCHEMBL28256721 0.76 TDP1 (0.65) TDP1
Tert-Butyl Formate SCHEMBL27722006 0.76 TDP1 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110354128-A Pyrimidine FGFR4 inhibitors 卫材R&D管理有限公司 2019-10-22 CN disclosed
CN-105899490-B Pyrimidine FGFR4 Inhibitors 卫材R&D管理有限公司 2019-07-23 CN disclosed
CN-105899490-A Pyrimidine fgfr4 inhibitors 卫材R&D管理有限公司 2016-08-24 CN disclosed