SCHEMBL17072235

SCHEMBL17072235

CCCC1CCC(C2CC=C(c3ccc(OC4CCC(CCC)C4)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 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
SCHEMBL17072243 0.96
SCHEMBL17072242 0.95 TLR4 (0.30) TLR4
SCHEMBL29324693 0.92 NPY1R (0.34) TLR4
SCHEMBL12511944 0.87 TLR4 (0.32) TLR4
SCHEMBL2214231 0.87 TLR4 (0.32) TLR4
SCHEMBL18134231 0.87 CCNT1 (0.34) TLR4
SCHEMBL18134232 0.87 TLR4 (0.32) TLR4
SCHEMBL29324705 0.86 CARM1 (0.31)
SCHEMBL18134233 0.85 TLR4 (0.31) TLR4
SCHEMBL20808302 0.85 TLR4 (0.31) TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133396-B2 Liquid crystal compound having negative dielectric anisotropy, and liquid crystal composition DAXIN MATERIALS CORP. (TW) 2015-09-15 US disclosed