SCHEMBL9862012

SCHEMBL9862012

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.33
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
ALOX5 P09917 19/20 0.33
MPEG1 Q2M385 5/20 0.33

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
SCHEMBL9861343 0.80
SCHEMBL9861410 0.76 GAA (0.32) DNTTPOLBPOLA1
SCHEMBL9861496 0.64 ERBB2 (0.41)
SCHEMBL19356773 0.55 TSHR (0.44)
SCHEMBL610798 0.55 TSHR (0.44)
SCHEMBL19356691 0.55 TSHR (0.44)
SCHEMBL15847432 0.55 TSHR (0.44)
SCHEMBL612829 0.55 TSHR (0.44)
SCHEMBL610669 0.55 TSHR (0.44)
SCHEMBL19356606 0.55 TSHR (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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