SCHEMBL13263115

SCHEMBL13263115

CCCC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(O)c(F)c5F)cc4)c(F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.34
TLR4 O00206 2/20 0.33

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
SCHEMBL28690958 0.96 TLR4 (0.36) TLR4
SCHEMBL13263294 0.91 ESR2 (0.34) ESR2TLR4
SCHEMBL8967066 0.88 TLR4 (0.32) ESR2TLR4
SCHEMBL8967000 0.87 TLR4 (0.33) TLR4
SCHEMBL9022358 0.87 ESR2 (0.32) ESR2
SCHEMBL8967039 0.86 TLR4 (0.31) TLR4
SCHEMBL8967097 0.85 NPC1 (0.33) TLR4
SCHEMBL13937046 0.85
SCHEMBL8967155 0.85 CCNT1 (0.32) TLR4
SCHEMBL13000579 0.85

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
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed