Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28065019

CC(C)(C)OC=O.N#CC=C1CCNC(c2ccccc2)C1

nearest known ligand 0.33

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.31
TDP1 Q9NUW8 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 SCHEMBL28064897 0.80 PRCP (0.36) PRCPTDP1
Tert-Butyl Formate SCHEMBL28209963 0.79 PRCP (0.35) PRCPTDP1
Tert-Butyl Formate SCHEMBL28027171 0.74 TDP1 (0.42) TDP1
Tert-Butyl Formate SCHEMBL27626763 0.72 PRCP (0.44) PRCPTDP1
Tert-Butyl Formate SCHEMBL27790496 0.72 TDP1 (0.37) PRCPTDP1
Tert-Butyl Formate SCHEMBL28065029 0.69 TDP1 (0.34) TDP1
Tert-Butyl Formate SCHEMBL28026595 0.69 TDP1 (0.46) TDP1
Hydrochloric Acid SCHEMBL26984267 0.67 PRCP (0.40) PRCP
Tert-Butyl Formate SCHEMBL27488567 0.67 SLC18A3 (0.62) TDP1
Benzonitrile SCHEMBL28259455 0.66 TSHR (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105579444-B Piperidinylindole derivatives and their use as complement factor B inhibitors 诺华股份有限公司 2018-05-01 CN disclosed
CN-105579444-A Piperidinylindole derivatives and their use as complement factor B inhibitors NOVARTIS AG 2016-05-11 CN disclosed