SCHEMBL8744161

SCHEMBL8744161

C=CC(COCCC)OCCC

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.31

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
SCHEMBL5510607 0.83 LPAR1 (0.37) USP2
SCHEMBL7591541 0.82 USP2 (0.43) USP2
SCHEMBL1524214 0.81 TSHR (0.35)
SCHEMBL14890429 0.79
SCHEMBL8731767 0.78 THRB (0.31)
SCHEMBL3840964 0.77 ALDH1A1 (0.31)
SCHEMBL9491511 0.76
SCHEMBL7697224 0.75
SCHEMBL892081 0.75 THRB (0.35)
SCHEMBL24207974 0.74 LPAR1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612720-B1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL CO (JP) 1997-01-08 EP disclosed
US-5463103-A Reacting butene derivative with hydrogen cyanide in presence of catalyst prepared from cuprous halide, lower alkylamine hydrohalide and Lewis acid or basic acetate, carbonate or bicarbonate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-31 US disclosed
CN-1104630-A Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL CO (JP) 1995-07-05 CN disclosed
EP-0612720-A1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-31 EP disclosed