SCHEMBL28999990

SCHEMBL28999990

O=[N+]([O-])/C=C/C1CC1(CC1CCCCC1)CC1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.34
TLR2 O60603 1/20 0.34

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
SCHEMBL28999981 0.71
SCHEMBL17305116 0.67 ADH1B (0.36) TLR4TLR2
SCHEMBL1322221 0.67 ADH1B (0.36) TLR4TLR2
SCHEMBL1322225 0.67 ADH1B (0.36) TLR4TLR2
SCHEMBL28999972 0.66 FBP1 (0.39) TLR4TLR2
SCHEMBL28999992 0.65
SCHEMBL14916898 0.64 ADH1B (0.33) TLR4TLR2
SCHEMBL14916899 0.64 ADH1B (0.33) TLR4TLR2
SCHEMBL19227984 0.63 GSR (0.43)
SCHEMBL28155532 0.62 ADH1B (0.52) TLR4TLR2

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
CN-113121357-B 2-nitrovinyl cyclopropane compound and synthesis method thereof 上海大学 2023-05-16 CN disclosed