SCHEMBL3446995

SCHEMBL3446995

CCOc1ccc(C#C[C@H]2CC[C@H]([C@H]3CC[C@H](CC)CC3)CC2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.31
ACACB O00763 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL3447969 1.00 KDM1A (0.31) KDM1AACACBGRIN1GRIN2B
SCHEMBL3446992 1.00 KDM1A (0.31) KDM1AACACBGRIN1GRIN2B
SCHEMBL9500263 0.96 KDM1A (0.33) KDM1AACACBGRIN1GRIN2B
SCHEMBL9500268 0.96 KDM1A (0.33) KDM1AACACBGRIN1GRIN2B
SCHEMBL9855742 0.92 HTR2C (0.31)
SCHEMBL9498042 0.92 HTR2C (0.31)
SCHEMBL9498031 0.92 HTR2C (0.31)
SCHEMBL9494894 0.91
SCHEMBL9854915 0.91
SCHEMBL9494902 0.91

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 5 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
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed