SCHEMBL3665323

SCHEMBL3665323

O=C1CCCCC1C1=CCCCC1.ON=C1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.39

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
SCHEMBL130772 0.80 TLR4 (0.56) TLR4
SCHEMBL3665324 0.77 TLR4 (0.39) TLR4
SCHEMBL30130600 0.77 TLR4 (0.56) TLR4
SCHEMBL11443954 0.72 TLR4 (0.58) TLR4
SCHEMBL1964176 0.72 TLR4 (0.48) TLR4
SCHEMBL6932715 0.72 TSHR (0.39)
SCHEMBL8874668 0.70 TLR4 (0.55) TLR4
SCHEMBL3314591 0.70
Hydrochloric Acid SCHEMBL11374344 0.68
SCHEMBL6751261 0.67 TSHR (0.54)

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
EP-2150529-A1 METHOD OF MAKING A LACTAM IN AN IONIC LIQUID DSM IP Assets B.V. (NL) 2010-02-10 EP disclosed
WO-2008145312-A1 METHOD OF MAKING A LACTAM IN AN IONIC LIQUID DSM IP ASSETS B.V. (NL) 2008-12-04 WO disclosed