SCHEMBL9813810

SCHEMBL9813810

O=C1CCC=C2COCCC12

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
SCHEMBL5175094 0.72 TLR4 (0.50) TLR4
SCHEMBL11443954 0.71 TLR4 (0.58) TLR4
SCHEMBL28617732 0.69
SCHEMBL10772651 0.67 TLR4 (0.34) TLR4
SCHEMBL8874668 0.64 TLR4 (0.55) TLR4
SCHEMBL15661377 0.63 TLR4 (0.33) TLR4
SCHEMBL11205 0.63 MAPT (0.30)
SCHEMBL1964176 0.63 TLR4 (0.48) TLR4
SCHEMBL7369844 0.62
SCHEMBL30130600 0.62 TLR4 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219199-B1 METHOD FOR PREPARATION OF LACTONES COULSTON INTERNATIONAL CORPORATION (US) 1991-07-31 EP disclosed