SCHEMBL3450222

SCHEMBL3450222

CCCC1CCC(C2CCC(C#Cc3ccc(OC)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
PTGES O14684 1/20 0.31
ACHE P22303 1/20 0.30
HTR4 Q13639 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
SCHEMBL3450223 1.00 AR (0.33) ARALDH1A1MAPTHTTPTGES
SCHEMBL3450221 1.00 AR (0.33) ARALDH1A1MAPTHTTPTGES
SCHEMBL9497525 0.96 AR (0.35) ARALDH1A1MAPTHTTPTGES
SCHEMBL9497515 0.96 AR (0.35) ARALDH1A1MAPTHTTPTGES
SCHEMBL3447294 0.93 AR (0.32) ARPTGESACHEHTR4
SCHEMBL3446731 0.93 AR (0.32) ARPTGESACHEHTR4
SCHEMBL3447292 0.93 AR (0.32) ARPTGESACHEHTR4
SCHEMBL3447844 0.92 AR (0.32) ARACHEHTR4
SCHEMBL3447847 0.92 AR (0.32) ARACHEHTR4
SCHEMBL3447845 0.92 AR (0.32) ARACHEHTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7854970-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-21 US claimed
US-20100051864-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2010-03-04 US claimed
US-7854970-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-21 US disclosed
US-20100051864-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2010-03-04 US disclosed