SCHEMBL15043572

SCHEMBL15043572

CC1CCC(c2ccc(C#CS(F)(F)(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.49
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
GRM5 P41594 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL15043516 0.77 ESR2 (0.53) ESR2EGLN1EGLN3GRM5HRH3
SCHEMBL15014364 0.77 ESR2 (0.53) ESR2EGLN1EGLN3GRM5HRH3
SCHEMBL10091187 0.77 ESR2 (0.53) ESR2GRM5
SCHEMBL14182570 0.75 ESR2 (0.51) ESR2EGLN1EGLN3GRM5
SCHEMBL11196166 0.75 ESR2 (0.77) ESR2
SCHEMBL13226083 0.75 ESR2 (0.50) ESR2EGLN1EGLN3GRM5HRH3
SCHEMBL10527807 0.74 ESR2 (0.46) ESR2EGLN1EGLN3GRM5HRH3
SCHEMBL2741543 0.74 ESR2 (0.50) ESR2EGLN1EGLN3GRM5
SCHEMBL13433641 0.73 APP (0.49) ESR2
SCHEMBL9508933 0.73 APP (0.49) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed