Acrylonitrile

Acrylonitrile

SCHEMBL742408

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

nearest known ligand 0.00

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⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL16512 0.87 TDP1 (0.31)
SCHEMBL15941362 0.86 TDP1 (0.30)
Acrylic Acid SCHEMBL8594584 0.85 ALOX15 (0.33)
Glycerin SCHEMBL14150411 0.79
SCHEMBL8529925 0.78 GRIK1 (0.33)
Acrylamide SCHEMBL5057303 0.75 TSHR (0.37)
Acrylonitrile SCHEMBL27590740 0.73 ALDH1A1 (0.38)
SCHEMBL9183786 0.73 TDP1 (0.30)
SCHEMBL8999534 0.72 TET2 (0.42)
SCHEMBL2892092 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673439-B2 Article undergoing stimulus-responsive deformation and vehicle part using the same NISSAN MOTOR CO., LTD. (JP) 2014-03-18 US disclosed
EP-2394845-B1 Article undergoing stimulus-induced deformation using liquid crystal and vehicle part using the same NISSAN MOTOR (JP) 2013-08-28 EP disclosed
EP-1892260-B1 ARTICLE UNDERGOING STIMULUS-RESPONSIVE DEFORMATION AND VEHICLE PART USING THE SAME NISSAN MOTOR (JP) 2013-06-12 EP disclosed
US-20120148827-A1 ARTICLE UNDERGOING STIMULUS-RESPONSIVE DEFORMATION AND VEHICLE PART USING THE SAME NISSAN MOTOR CO., LTD. 2012-06-14 US disclosed
US-8137799-B2 Article undergoing stimulus-responsive deformation and vehicle part using the same NISSAN MOTOR CO., LTD. (JP) 2012-03-20 US disclosed
US-20090202811-A1 ARTICLE UNDERGOING STIMULUS-RESPONSIVE DEFORMATION AND VEHICLE PART USING THE SAME NISSAN MOTOR CO., LTD. (JP) 2009-08-13 US disclosed
EP-1892260-A1 ARTICLE UNDERGOING STIMULUS-RESPONSIVE DEFORMATION AND VEHICLE PART USING THE SAME Nissan Motor Co., Ltd. (JP) 2008-02-27 EP disclosed