Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL29286245

CC(C)(C)OC=O.O=C(c1cnc(-c2cccc(CO)c2)nc1)C1CCNCC1

nearest known ligand 0.39

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
ABL1 P00519 2/20 0.38
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
CHEK1 O14757 1/20 0.35
FYN P06241 3/20 0.35
HPGDS O60760 1/20 0.34
HRH1 P35367 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
F10 P00742 1/20 0.33
DGAT2 Q96PD7 3/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 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
Tert-Butyl Formate SCHEMBL27775553 0.81 TGFB2 (0.41) PIK3CAMTORPIK3CGFYN
SCHEMBL29286246 0.78 HPGDS (0.48) KMT2AHPGDS
Tert-Butyl Formate SCHEMBL28566265 0.75 MEN1 (0.45) MEN1CYP2D6KMT2AHPGDS
Tert-Butyl Formate SCHEMBL27621070 0.75 MEN1 (0.52) MEN1CYP2D6KMT2A
Tert-Butyl Formate SCHEMBL27503582 0.74 HTR2C (0.46)
Tert-Butyl Formate SCHEMBL28134989 0.74 SLC18A3 (0.47) PIK3CAMTORMEN1CYP2D6KMT2A
Tert-Butyl Formate SCHEMBL28820090 0.73 MEN1 (0.43) MEN1CYP2D6KMT2A
Tert-Butyl Formate SCHEMBL27775540 0.73 CYP1A2 (0.44) PIK3CAMTORPIK3CGMEN1CYP2D6
Tert-Butyl Formate SCHEMBL27968800 0.72 HTR2C (0.46) MEN1CYP2D6KMT2A
Tert-Butyl Formate SCHEMBL28958044 0.70 KMT2A (0.54) MEN1CYP2D6KMT2A

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-118359587-A Synthesis method of 4- (((2- (3- (hydroxymethyl) phenyl) pyrimidine-5-yl) oxo) methyl) piperidine-1-tert-butyl formate 上海法默生物科技有限公司 2024-07-19 CN disclosed
CN-118359587-A Synthesis method of 4- (((2- (3- (hydroxymethyl) phenyl) pyrimidine-5-yl) oxo) methyl) piperidine-1-tert-butyl formate 上海法默生物科技有限公司 2024-07-19 CN disclosed