SCHEMBL3665324

SCHEMBL3665324

O=C1CCCCC1C1=CCCCC1.ON=C1C=CCCC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.39
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30130600 0.80 TLR4 (0.56) TLR4
SCHEMBL130772 0.80 TLR4 (0.56) TLR4
SCHEMBL3665323 0.77 TLR4 (0.39) TLR4
SCHEMBL1964176 0.75 TLR4 (0.48) TLR4
SCHEMBL11443954 0.72 TLR4 (0.58) TLR4
SCHEMBL6751259 0.72 TSHR (0.39) ALDH1A1
SCHEMBL6751260 0.72 TSHR (0.39) ALDH1A1
SCHEMBL6751262 0.72 TSHR (0.39) ALDH1A1
SCHEMBL3314586 0.72
SCHEMBL6560379 0.72

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