SCHEMBL5884594

SCHEMBL5884594

CCCC1CCC2C(CCC3CC(C=O)CCC32)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.31

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
SCHEMBL5683920 1.00 TLR4 (0.31) TLR4
SCHEMBL5884589 1.00 TLR4 (0.31) TLR4
SCHEMBL6453271 0.91 TLR4 (0.35) TLR4
SCHEMBL6458146 0.91 TLR4 (0.35) TLR4
SCHEMBL10837428 0.91 TLR4 (0.35) TLR4
SCHEMBL6453263 0.91 TLR4 (0.35) TLR4
SCHEMBL6464689 0.90 TLR4 (0.35) TLR4
SCHEMBL6464686 0.90 TLR4 (0.35) TLR4
SCHEMBL9979261 0.84 TLR4 (0.38) TLR4
SCHEMBL11065337 0.84 TLR4 (0.34) 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-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed