Sugi Predict

Sugi Predict / Compounds / SCHEMBL20198338

SCHEMBL20198338

SCHEMBL20198338

CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3cc(OCC(C)CC)c(OCC(C)CC)cc3-2)c2cc(Br)ccc2-c2ccc(Br)c(C)c21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.31
▸ MCHR1 Q99705 1/20 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
SCHEMBL680229 0.87 TLR8 (0.36) TLR8MCHR1
SCHEMBL13198868 0.87 TLR8 (0.36) TLR8MCHR1
SCHEMBL11957248 0.86 TLR8 (0.33) TLR8MCHR1
SCHEMBL13595416 0.85 TLR8 (0.31) TLR8MCHR1
SCHEMBL13196434 0.83 TLR8 (0.33) TLR8MCHR1
SCHEMBL13376510 0.81 TLR8 (0.32) TLR8MCHR1
SCHEMBL14441622 0.81 TLR8 (0.32) TLR8MCHR1
SCHEMBL12595641 0.79 TLR8 (0.36) TLR8MCHR1
SCHEMBL4546505 0.79 TLR8 (0.36) TLR8MCHR1
SCHEMBL13326313 0.78 TLR8 (0.33) TLR8MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 — — EP disclosed