SCHEMBL9861376

SCHEMBL9861376

FOc1c(F)c(F)c(F)c(F)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8607379 0.80 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL5407865 0.80 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL15437652 0.78 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL8767127 0.77 TSHR (0.39) TSHRSMN1; SMN2
SCHEMBL6432852 0.76 TSHR (0.52) TSHRSMN1; SMN2
SCHEMBL8847309 0.75
SCHEMBL27733055 0.74 TSHR (0.50) TSHRSMN1; SMN2
SCHEMBL3931630 0.73
SCHEMBL2131546 0.73
SCHEMBL15437701 0.73

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 7 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-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