Acrylonitrile

Acrylonitrile

SCHEMBL16670971

C=C(CCCC)C(=O)O.C=CC#N.CC=C(C)C(=O)O

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.35
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
THRB P10828 1/20 0.33
PGGT1B P53609 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
CES2 O00748 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
Acrylonitrile SCHEMBL3041952 0.91 CES1 (0.38) CES1FNTAFNTBTHRBPGGT1B
SCHEMBL158482 0.89 FNTA (0.40) CES1FNTAFNTBTHRBPGGT1B
SCHEMBL573373 0.89 FNTA (0.40) CES1FNTAFNTBTHRBPGGT1B
SCHEMBL17997372 0.89 FNTA (0.40) CES1FNTAFNTBTHRBPGGT1B
SCHEMBL4805642 0.89 FNTA (0.40) CES1FNTAFNTBTHRBPGGT1B
Acrylonitrile SCHEMBL9717198 0.88 CES1 (0.37) CES1FNTAFNTBTHRBPGGT1B
Acrylonitrile SCHEMBL3037244 0.86 CES1 (0.34) CES1FNTAFNTBTHRBPGGT1B
Acrylonitrile SCHEMBL8334588 0.85 AKR1B1 (0.42) CES1FNTAFNTBTHRBPGGT1B
Methacrylic Acid SCHEMBL7521792 0.85 FNTA (0.38) CES1FNTAFNTBTHRBPGGT1B
Methacrylic Acid SCHEMBL16894609 0.83 FNTA (0.45) FNTAFNTBTHRBPGGT1B

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-3060592-A1 THERMOPLASTIC ELASTOMER COMPOSITIONS RESISTANT TO SILICONE OIL Kraiburg TPE GmbH & Co. KG (DE) 2016-08-31 EP disclosed
WO-2015059219-A1 THERMOPLASTIC ELASTOMER COMPOSITIONS RESISTANT TO SILICONE OIL KRAIBURG TPE GMBH & CO. KG (DE) 2015-04-30 WO disclosed