SCHEMBL18922804

SCHEMBL18922804

CCCC1CCC(C2CCC(O)(C#C[SiH3])CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.33

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
SCHEMBL18922805 0.90 TLR4 (0.35) TLR4
SCHEMBL13072135 0.87 TLR4 (0.34) TLR4
SCHEMBL12013662 0.81 TLR4 (0.32) TLR4
SCHEMBL2033206 0.80 TLR4 (0.34) TLR4
SCHEMBL2033203 0.80 TLR4 (0.34) TLR4
SCHEMBL13332135 0.79 ALDH1A1 (0.37) TLR4
SCHEMBL13072139 0.79 CYP1A2 (0.32)
SCHEMBL13361196 0.77 TLR4 (0.38) TLR4
SCHEMBL13072136 0.75 CYP1A2 (0.30)
SCHEMBL18922806 0.75

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
US-RE46426-E1 Birefringent polymer film with negative optical dispersion MERCK PATENT GMBH (DE) 2017-06-06 US disclosed