SCHEMBL8906557

SCHEMBL8906557

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3cc(F)c(OC(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 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
SCHEMBL8103016 1.00 TLR4 (0.31) TLR4
SCHEMBL8103011 1.00 TLR4 (0.31) TLR4
SCHEMBL6458368 0.92 TLR4 (0.30) TLR4
SCHEMBL6458363 0.92 TLR4 (0.30) TLR4
SCHEMBL8768444 0.89 ALOX5 (0.32)
SCHEMBL8446756 0.88
SCHEMBL8436994 0.87
SCHEMBL8436997 0.87
SCHEMBL8452452 0.86
SCHEMBL8448448 0.86

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
US-5641429-A STABLE COMPOUNDS HAVING LOW VISCOSITY AND HIGH DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-06-24 US disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5487845-A ELECTROOPTICAL DISPLAY ELEMENTS; CHEMICAL, HEAT AND LIGHT STABILITY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-01-30 US disclosed