SCHEMBL7901685

SCHEMBL7901685

N#CCCCCC(O)CC#N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL19039347 0.84 USP2 (0.43) TSHRUSP2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL5480087 0.81 GPR84 (0.45) TSHR
SCHEMBL5269399 0.80
SCHEMBL4977789 0.79 GPR84 (0.48) TSHR
SCHEMBL21134014 0.79 CA12 (0.35) TSHR
SCHEMBL11363078 0.79 GPR84 (0.48) TSHR
SCHEMBL15153583 0.79 GPR84 (0.48) TSHR
SCHEMBL8402045 0.79 GPR84 (0.48) TSHR
SCHEMBL3501372 0.79 GPR84 (0.48) TSHR
SCHEMBL2818859 0.79 GPR84 (0.48) TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197867-B1 DINITRILE PROCESSING AIDS THE GOODYEAR TIRE & RUBBER COMPANY 2001-03-06 US claimed
US-6197867-B1 DINITRILE PROCESSING AIDS THE GOODYEAR TIRE & RUBBER COMPANY 2001-03-06 US disclosed
EP-0965613-A1 Rubber compositions containing organo-nitriles THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-12-22 EP disclosed