Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28311303

CC(C)(C)OC=O.N#Cc1c(OCC2CCCN2)cccc1[N+](=O)[O-]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 5/20 0.44
▸ CHRNA3 P32297 5/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ DPP4 P27487 1/20 0.34
▸ LTA4H P09960 1/20 0.34

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 SCHEMBL28312095 1.00 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4DPP4
Tert-Butyl Formate SCHEMBL28311302 1.00 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4DPP4
Hydrochloric Acid SCHEMBL620611 0.89 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL620612 0.89 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL621423 0.89 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
SCHEMBL15607333 0.87 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
SCHEMBL15607414 0.87 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
SCHEMBL19034911 0.87 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL16204995 0.86 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL15567372 0.86 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H

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-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 — — CN disclosed
Send feedback