SCHEMBL7024655

SCHEMBL7024655

CCC[C@H]1CC[C@H](C2CCC(CCc3cc(F)c(COC)c(F)c3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 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
SCHEMBL8385887 1.00 TLR4 (0.32) TLR4
SCHEMBL8390649 0.92 CYP1A2 (0.33)
SCHEMBL7023040 0.92 CYP1A2 (0.33)
SCHEMBL8386994 0.92
SCHEMBL7030991 0.92
SCHEMBL7025199 0.91 MEN1 (0.31)
SCHEMBL8390641 0.91 MEN1 (0.31)
SCHEMBL7025806 0.88
SCHEMBL8385701 0.88
SCHEMBL8389689 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754668-B1 Fluorobenzylether derivatives ROLIC AG (CH) 2003-02-05 EP disclosed
US-5888423-A Fluorobenzyl ether derivatives ROLIC AG (CH) 1999-03-30 US disclosed
EP-0754668-A2 Fluorobenzylether derivatives Rolic AG (CH) 1997-01-22 EP disclosed