SCHEMBL6458410

SCHEMBL6458410

C/C=C/C1CCC2CC(C3CCC(CCC)CC3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.37

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
SCHEMBL6458414 1.00 TLR4 (0.37) TLR4
SCHEMBL6458403 1.00 TLR4 (0.37) TLR4
SCHEMBL7770616 0.89 TLR4 (0.34) TLR4
SCHEMBL7770976 0.89 TLR4 (0.34) TLR4
SCHEMBL5849079 0.89 TLR4 (0.34) TLR4
SCHEMBL7770973 0.89 TLR4 (0.34) TLR4
SCHEMBL5849087 0.89 TLR4 (0.34) TLR4
SCHEMBL7770614 0.89 TLR4 (0.34) TLR4
SCHEMBL9978906 0.88 TLR4 (0.35) TLR4
SCHEMBL9978904 0.88 TLR4 (0.35) 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
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed