SCHEMBL8833955

SCHEMBL8833955

CCC1CCC(C=Cc2ccc(OC(F)(F)C(F)C(F)(F)F)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.33
RECQL P46063 1/20 0.33
PDE4B Q07343 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
SCHEMBL8833949 1.00 TUBB1 (0.33) TUBB1RECQLPDE4B
SCHEMBL8833959 1.00 TUBB1 (0.33) TUBB1RECQLPDE4B
SCHEMBL8834209 0.90 RECQL (0.31) TUBB1RECQLPDE4B
SCHEMBL8834222 0.90 RECQL (0.31) TUBB1RECQLPDE4B
SCHEMBL8834216 0.90 RECQL (0.31) TUBB1RECQLPDE4B
SCHEMBL7917339 0.89 FBP1 (0.33) RECQLPDE4B
SCHEMBL7917334 0.89 FBP1 (0.33) RECQLPDE4B
SCHEMBL7917336 0.89 FBP1 (0.33) RECQLPDE4B
SCHEMBL8834602 0.87 PDE4B (0.33) TUBB1RECQLPDE4B
SCHEMBL8834605 0.87 PDE4B (0.33) TUBB1RECQLPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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