SCHEMBL7913530

SCHEMBL7913530

COCC1CCC(C2CCC(C#Cc3ccc(C(F)(F)C(F)C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
FFAR1 O14842 1/20 0.31

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
SCHEMBL7917544 0.87 ALDH1A1 (0.36) ACACBFFAR1
SCHEMBL7914093 0.80 HTR2C (0.33) ACACB
SCHEMBL7911110 0.79 MAOB (0.35)
SCHEMBL8833283 0.79 RECQL (0.30)
SCHEMBL7914142 0.76 MAOB (0.36)
SCHEMBL7914145 0.76 MAOB (0.36)
SCHEMBL7917476 0.76 ALDH1A1 (0.37) ACACBFFAR1
SCHEMBL7913858 0.73 DGAT1 (0.34) ACACBFFAR1
SCHEMBL7911802 0.72 ALDH1A1 (0.34)
SCHEMBL7916791 0.72 ALDH1A1 (0.34)

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