SCHEMBL4642574

SCHEMBL4642574

CCC[C@H]1CC[C@H](C2Cc3cc(F)c(F)c(F)c3C2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.33
FYN P06241 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
SCHEMBL4642581 1.00 TLR4 (0.33) TLR4FYN
SCHEMBL14493306 0.84 BPTF (0.32)
SCHEMBL4391852 0.82 TLR4 (0.34) TLR4FYN
SCHEMBL13451110 0.81 ACHE (0.33)
SCHEMBL4393463 0.80 ACHE (0.40) TLR4
SCHEMBL13451414 0.76 ACHE (0.34) TLR4FYN
SCHEMBL4642771 0.73 FYN (0.35) TLR4FYN
SCHEMBL4645255 0.73 FYN (0.35) TLR4FYN
SCHEMBL4642780 0.73 FYN (0.35) TLR4FYN
SCHEMBL4642776 0.73 FYN (0.35) TLR4FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568754-B1 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK & CHEMICALS (JP) 2008-08-13 EP disclosed
US-7232592-B2 Compounds having a 4,6-difluoroindan-2,5-diyl group; composition of up to 6 compounds gives good response speed, good electrooptical liquid crystal display, matrix liquid crystal display elements DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-19 US disclosed
US-20060102878-A1 Nematic liquid crystal composition containing indan compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-05-18 US disclosed
EP-1568754-A1 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-08-31 EP disclosed