SCHEMBL11032337

SCHEMBL11032337

CCC[C@H]1CC[C@H](C2CC=C(c3c(F)cc(F)cc3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.38

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
SCHEMBL11032350 1.00 TLR4 (0.38) TLR4
SCHEMBL17075735 0.87 TLR4 (0.36) TLR4
SCHEMBL17075733 0.87 TLR4 (0.36) TLR4
SCHEMBL12976249 0.86 TLR4 (0.37) TLR4
SCHEMBL2885611 0.86 TLR4 (0.37) TLR4
SCHEMBL11128514 0.82 TLR4 (0.36) TLR4
SCHEMBL11128511 0.82 TLR4 (0.36) TLR4
SCHEMBL11035502 0.81 TLR4 (0.37) TLR4
SCHEMBL10606505 0.81 TLR4 (0.37) TLR4
SCHEMBL10606509 0.81 TLR4 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59082323-A None JP disclosed
JP-S5982323-A TRIFLUOROBENZENE DERIVATIVE CHISSO CORP 1984-05-12 JP disclosed