Benzene

Benzene

SCHEMBL28245657

O=COC(F)(F)F.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL95826 0.90
Bicarbonate SCHEMBL23827517 0.85 TDP1 (0.36) TDP1
SCHEMBL4037016 0.71
Benzene SCHEMBL21296191 0.65 KIF11 (0.30)
Tert-Butyl Formate SCHEMBL28746672 0.65 TDP1 (0.72) TDP1
SCHEMBL843883 0.65 TDP1 (0.40) TDP1
SCHEMBL1263163 0.65
SCHEMBL3749142 0.65
SCHEMBL3756517 0.65
SCHEMBL2109344 0.62

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-108516935-A A kind of perfluoro alkoxy reagent and its preparation method and application 中国科学院上海有机化学研究所 2018-09-11 CN disclosed