SCHEMBL2909344

SCHEMBL2909344

CCC[C@H]1CC[C@H](C2CC=C(c3ccc(F)c(F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.34

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
SCHEMBL14494608 1.00 TLR4 (0.34) TLR4
SCHEMBL2909350 1.00 TLR4 (0.34) TLR4
SCHEMBL29011307 0.91 TLR4 (0.33) TLR4
SCHEMBL7668253 0.89 TLR4 (0.34) TLR4
SCHEMBL7668264 0.89 TLR4 (0.34) TLR4
SCHEMBL4400181 0.89 TLR4 (0.34) TLR4
SCHEMBL22876995 0.88 TLR4 (0.32) TLR4
SCHEMBL28690958 0.88 TLR4 (0.36) TLR4
SCHEMBL17916602 0.88 TLR4 (0.36) TLR4
SCHEMBL24232238 0.88 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640433-B1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2010-08-25 EP disclosed
US-7226644-B2 Chroman derivative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-05 US disclosed
US-20060163536-A1 Chroman dervative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1640433-A1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND Dainippon Ink and Chemicals, Incorporated (JP) 2006-03-29 EP disclosed