SCHEMBL3448374

SCHEMBL3448374

CCC1CCC(C2CCC(C#Cc3ccc(OC)c(F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
PTGES O14684 1/20 0.32

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
SCHEMBL3448378 1.00 AR (0.34) ARPTGES
SCHEMBL3448371 1.00 AR (0.34) ARPTGES
SCHEMBL9496349 0.96 AR (0.36) ARPTGES
SCHEMBL9496362 0.96 AR (0.36) ARPTGES
SCHEMBL3450222 0.90 AR (0.33) ARPTGES
SCHEMBL3450223 0.90 AR (0.33) ARPTGES
SCHEMBL3450221 0.90 AR (0.33) ARPTGES
SCHEMBL3447969 0.90 KDM1A (0.31)
SCHEMBL3446992 0.90 KDM1A (0.31)
SCHEMBL3446995 0.90 KDM1A (0.31)

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