SCHEMBL9314843

SCHEMBL9314843

CC[Si](CC)(CC)OC1(C(F)(F)F)C=CC(=O)C=C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9339535 0.80 TP53 (0.36) TP53MAPTALOX15HSD17B10
SCHEMBL9861373 0.76 TLR9 (0.37)
SCHEMBL9315507 0.75 ALDH1A1 (0.34) TP53MAPT
SCHEMBL9861424 0.72 POLB (0.34) MAPT
SCHEMBL9861498 0.70 TLR9 (0.30)
SCHEMBL9861926 0.69
SCHEMBL9861371 0.68 MEN1 (0.30)
SCHEMBL9861393 0.67 TP53 (0.34) TP53MAPTALOX15HSD17B10
SCHEMBL9861494 0.62
SCHEMBL9314828 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4804772-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-02-14 US claimed
US-5302752-A Acetic acid derivatives and their production ETHYL CORPORATION (US) 1994-04-12 US disclosed
EP-0426333-A2 Acetic acid derivatives and their production ETHYL CORPORATION (US) 1991-05-08 EP disclosed
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-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