Acrylonitrile

Acrylonitrile

SCHEMBL3629321

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
THRB P10828 1/20 0.43
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.34
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 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 SCHEMBL9562747 0.90 THRB (0.46) TSHRTHRBPOLBAPEX1HTT
Water SCHEMBL7119412 0.88 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Acrylonitrile SCHEMBL4005713 0.87 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
Acrylonitrile SCHEMBL11546320 0.87 THRB (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11414270 0.86 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
Propene SCHEMBL28204235 0.86 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15480 0.86 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
Acrylonitrile SCHEMBL28108185 0.85 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Vinyl Chloride SCHEMBL3083512 0.84 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
Acrylonitrile SCHEMBL23071585 0.84 ALDH1A1 (0.47) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104745011-B AQUEOUS STAIN BLOCKING COATING COMPOSITIONS 巴斯夫欧洲公司 2017-05-03 CN disclosed
EP-2014724-B9 Wettable hydrogels comprising acyclic polyamides JOHNSON & JOHNSON VISION CARE (US) 2016-09-14 EP disclosed
EP-2014724-B1 Wettable hydrogels comprising acyclic polyamides JOHNSON & JOHNSON VISION CARE (US) 2016-04-06 EP disclosed
US-8222353-B2 Wettable hydrogels comprising acyclic polyamides JOHNSON & JOHNSON VISION CARE, INC. (US) 2012-07-17 US disclosed
US-20110294914-A1 WETTABLE HYDROGELS COMPRISING ACYCLIC POLYAMIDES JOHNSON & JOHNSON VISION CARE, INC. 2011-12-01 US disclosed
US-7786185-B2 Wettable hydrogels comprising acyclic polyamides JOHNSON & JOHNSON VISION CARE, INC. (US) 2010-08-31 US disclosed
EP-1720943-B1 WETTABLE HYDROGELS COMPRISING ACYCLIC POLYAMIDES JOHNSON & JOHNSON VISION CARE (US) 2009-02-11 EP disclosed
EP-2014724-A1 Wettable hydrogels comprising acyclic polyamides Johson & Johnson Vision Care Inc. (US) 2009-01-14 EP disclosed
US-20080045612-A1 Wettable hydrogels comprising acyclic polyamides JOHNSON & JOHNSON VISION CARE, INC 2008-02-21 US disclosed
EP-1720943-A1 WETTABLE HYDROGELS COMPRISING ACYCLIC POLYAMIDES Johnson & Johnson Vision Care, Inc. (US) 2006-11-15 EP disclosed
WO-2005092987-A1 WETTABLE HYDROGELS COMPRISING ACYCLIC POLYAMIDES JOHNSON & JOHNSON VISION CARE, INC. (US) 2005-10-06 WO disclosed