SCHEMBL6455874

SCHEMBL6455874

C=CC1CC[C@@H]2C[C@H](C3CCC(CCC)CC3)CC[C@@H]2C1

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
SCHEMBL6455878 1.00 TLR4 (0.38) TLR4
SCHEMBL6460739 0.93 TLR4 (0.32) TLR4
SCHEMBL6460740 0.93 TLR4 (0.32) TLR4
SCHEMBL28361607 0.89 TLR4 (0.35) TLR4
SCHEMBL7774454 0.89 TLR4 (0.35) TLR4
SCHEMBL2270744 0.89 TLR4 (0.35) TLR4
SCHEMBL7774457 0.89 TLR4 (0.35) TLR4
SCHEMBL7774459 0.89 TLR4 (0.35) TLR4
SCHEMBL2270739 0.89 TLR4 (0.35) TLR4
SCHEMBL2270741 0.89 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