Acrylonitrile

Acrylonitrile

SCHEMBL8680141

C=CC#N.CCCCOC(=O)C(C=Cc1ccccc1)=CC=CC(=O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.39
BCHE P06276 8/20 0.39
ACHE P22303 6/20 0.39
HCAR2 Q8TDS4 1/20 0.39
APP P05067 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 1/20 0.37
HDAC3 O15379 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1234803 0.91 KDM4E (0.54) KDM4ETDP1POLBBCHEACHE
Butadiene SCHEMBL8384528 0.88 KDM4E (0.47) KDM4ETDP1POLBBCHEACHE
SCHEMBL2244824 0.87 KDM4E (0.50) KDM4ETDP1POLBBCHEACHE
Styrene SCHEMBL251166 0.87 KDM4E (0.41) KDM4ETDP1POLBHCAR2APP
SCHEMBL6471821 0.86 KDM4E (0.53) KDM4ETDP1POLBBCHEACHE
SCHEMBL11441787 0.85 KDM4E (0.45) KDM4ETDP1POLBHCAR2APP
SCHEMBL11394468 0.84 KDM4E (0.48) KDM4ETDP1POLBBCHEACHE
SCHEMBL10942140 0.84 TSHR (0.49) KDM4ETDP1POLBBCHEACHE
SCHEMBL7699557 0.84 KDM4E (0.48) KDM4ETDP1POLBBCHEACHE
Styrene SCHEMBL19306546 0.84 KDM4E (0.46) KDM4ETDP1POLBHCAR2APP

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
US-5804349-A Acrylonitrile-modified toner compositions and processes XEROX CORPORATION (US) 1998-09-08 US disclosed
US-5683848-A Acrylonitrile-modified toner composition and processes XEROX CORPORATION (US) 1997-11-04 US disclosed
US-5607482-A BLOCKED POLYISOCYANATE BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
US-5556935-A POLYURETHANE, POLYCARBODIIMIDE, POLYEPOXIDE BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed