SCHEMBL8833283

SCHEMBL8833283

COCC1CCC(C2CCC(C#Cc3ccc(OC(F)(F)C(F)C(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RECQL P46063 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
SCHEMBL8834324 0.86 RECQL (0.32) RECQL
SCHEMBL7917544 0.85 ALDH1A1 (0.36)
SCHEMBL8833597 0.83 RECQL (0.30) RECQL
SCHEMBL7917556 0.81 RECQL (0.33) RECQL
SCHEMBL8834841 0.80 KCNH2 (0.33) RECQL
SCHEMBL7913530 0.79 ACACB (0.34)
SCHEMBL8834050 0.78 RECQL (0.30) RECQL
SCHEMBL8834602 0.77 PDE4B (0.33) RECQL
SCHEMBL8834597 0.77 PDE4B (0.33) RECQL
SCHEMBL8834605 0.77 PDE4B (0.33) RECQL

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