SCHEMBL7913631

SCHEMBL7913631

CCCCC1CCC(C#Cc2ccc(OC(F)(F)C(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FFAR1 O14842 1/20 0.31
ACACB O00763 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HAO1 Q9UJM8 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
SCHEMBL7916791 0.94 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10
SCHEMBL7903591 0.93 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10FFAR1ACACB
SCHEMBL9713051 0.92 FFAR1 (0.33) FFAR1ACACBHAO1
SCHEMBL9713047 0.92 FFAR1 (0.33) FFAR1ACACBHAO1
SCHEMBL10524481 0.90 FFAR1 (0.32) FFAR1ACACBMAPTHAO1
SCHEMBL10524478 0.90 FFAR1 (0.32) FFAR1ACACBMAPTHAO1
SCHEMBL9712954 0.89 FFAR1 (0.31) FFAR1ACACBHAO1
SCHEMBL9712962 0.89 FFAR1 (0.31) FFAR1ACACBHAO1
SCHEMBL9712947 0.89 FFAR1 (0.31) FFAR1ACACBHAO1
SCHEMBL9713144 0.89 FFAR1 (0.32) FFAR1ACACBMAPTHAO1

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
EP-0640578-B2 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 2001-06-27 EP disclosed
EP-0640578-B1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 1997-11-05 EP disclosed
EP-0640578-A1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition Chisso Corporation (JP) 1995-03-01 EP disclosed