SCHEMBL27554604

SCHEMBL27554604

O=BOc1cc(C(F)(F)F)cc(C(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.34
IDO1 P14902 2/20 0.32
CES2 O00748 1/20 0.31

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
SCHEMBL27569350 0.81 SOD1 (0.33) SOD1IDO1CES2
SCHEMBL4245131 0.79 IDO1 (0.33) SOD1IDO1
SCHEMBL4245134 0.77 IDO1 (0.31) SOD1IDO1CES2
SCHEMBL31611836 0.77 IDO1 (0.31) SOD1IDO1CES2
SCHEMBL29738705 0.77 IDO1 (0.31) SOD1IDO1
SCHEMBL27554685 0.77 NR1H2 (0.33)
SCHEMBL27531973 0.77 IDO1 (0.35) IDO1CES2
SCHEMBL985549 0.76 IDO1 (0.34) IDO1
SCHEMBL1450950 0.74 IDO1 (0.33) IDO1
SCHEMBL29830571 0.74 IDO1 (0.33) IDO1

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-1290275-A Catalyst and process for polymerization of cycloolefin GOODRICH CO B F (US) 2001-04-04 CN claimed