SCHEMBL9861622

SCHEMBL9861622

O=C1c2ccccc2C(O)(C(F)(F)F)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 20/20 0.76

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
SCHEMBL15463143 0.87 PDK2 (1.00) PDK2
SCHEMBL9861506 0.86 PDK2 (0.57) PDK2
SCHEMBL8816141 0.81 PDK2 (0.48) PDK2
SCHEMBL9861331 0.80 PDK2 (0.70) PDK2
SCHEMBL15203037 0.79 PDK2 (0.76) PDK2
SCHEMBL30537695 0.75 PDK2 (0.42) PDK2
SCHEMBL11482321 0.74 MEN1 (0.48) PDK2
SCHEMBL13128097 0.73 PDK2 (0.61) PDK2
SCHEMBL9861969 0.73 PDK2 (0.46) PDK2
SCHEMBL13127993 0.73 PDK2 (1.00) PDK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4871877-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-03 US claimed
US-5008425-A Trifluoromethylation of carbonyl compounds ETHYL CORPORATION (US) 1991-04-16 US disclosed
EP-0336371-A2 Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-11 EP disclosed
US-4871877-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-03 US disclosed
US-4845258-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-07-04 US disclosed
US-4804774-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804772-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804773-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed