Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28286743

BrC1NCCc2ccccc21.CC(C)(C)OC=O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.44
GID4 Q8IVV7 1/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC22A1 O15245 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL746026 0.82 PRCP (0.58) PRCPGID4TSHRNPSR1GAA
Hydrochloric Acid SCHEMBL28061548 0.80 GAA (0.59) PRCPGID4TSHRNPSR1GAA
1,2,3,4-Tetrahydroisoquinoline SCHEMBL16291277 0.72 PNMT (0.61) HTR2AHTR2CHTR2B
Indoline SCHEMBL27652752 0.72 MAPK1 (0.45) HTR2AHTR2CHTR2BSMN1; SMN2MAPT
Tert-Butyl Formate SCHEMBL29029882 0.70 PRCP (0.49) PRCPHTR2AMAPT
Tert-Butyl Formate SCHEMBL27951320 0.70 TDP1 (0.52) TSHRSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7136888 0.70 PRCP (0.49) PRCPGID4TSHRNPSR1GAA
SCHEMBL4026574 0.70 PRCP (0.49) PRCPGID4TSHRNPSR1GAA
Tert-Butyl Formate SCHEMBL27773262 0.69 TDP1 (0.50) HTR2C
SCHEMBL30829405 0.68 TSHR (0.60) PRCPGID4TSHRNPSR1GAA

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-109496213-A Spiro-compound and its preparation and application 阿比德治疗公司 2019-03-19 CN disclosed