SCHEMBL91913

SCHEMBL91913

COc1ccc(C#Cc2ccc(C)cc2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
AR P10275 3/20 0.39
ACHE P22303 1/20 0.37
GRM5 P41594 2/20 0.37
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA1 P00915 2/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
FFAR1 O14842 1/20 0.34
APP P05067 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 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
SCHEMBL9512484 0.97 AAK1 (0.44) AAK1ARACHEGRM5CA12
SCHEMBL10448649 0.94 AAK1 (0.40) AAK1ARACHEGRM5CA12
SCHEMBL9509326 0.84 AR (0.37) AAK1ARGRM5CA12CA2
SCHEMBL9510152 0.83 FFAR1 (0.40) AAK1CA2FFAR1
SCHEMBL9512496 0.81 AAK1 (0.38) AAK1ARGRM5CA12CA2
SCHEMBL12994542 0.81 AAK1 (0.39) AAK1ACHEGRM5ALDH1A1CYP3A4
SCHEMBL7857744 0.80 FFAR1 (0.44) AAK1FFAR1
SCHEMBL9510222 0.80 ACACB (0.35) AAK1GRM5CA12CA2CA9
SCHEMBL9512290 0.80 FFAR1 (0.39) AAK1FFAR1
SCHEMBL9508905 0.80 FFAR1 (0.44) AAK1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017812-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-01-25 WO disclosed
US-9737854-B2 Process for the purification of a liquid-crystal mixture MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-9714381-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-07-25 US disclosed
US-20170044436-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 US disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8043671-B2 Liquid-crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-25 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7462297-B2 Chiral dopants having a laterally alkylated phenyl structural element MERCK PATENT GMBH (DE) 2008-12-09 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed