Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28048328

CC(C)(C)OC=O.O=C1C=CC(=O)N1CC1CCC(N2C(=O)CCC2=O)CC1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.34
DRD3 P35462 1/20 0.34
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL181056 0.84 HTR1A (0.37) HTR1ADRD3
SCHEMBL5664409 0.84 HTR1A (0.37) HTR1ADRD3
Bicarbonate SCHEMBL9228837 0.79 HTR1A (0.34) HTR1ADRD3
SCHEMBL30529876 0.72 HTR1A (0.43) HTR1ADRD3
SCHEMBL3800428 0.70 PTGS1 (0.40)
SCHEMBL485615 0.70 MGLL (0.44)
SCHEMBL5531964 0.68 HPGD (0.38)
SCHEMBL45794 0.68 PTGS1 (0.33)
SCHEMBL14348230 0.68 CPB2 (0.33) HTR1A
SCHEMBL14788002 0.66 ALOX12 (0.33) HTR1A

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-103370619-B The method of diagnosis or risk profile heart failure and reagent ALERE SAN DIEGO, INC. (US) 2016-01-20 CN disclosed