Acrylonitrile

Acrylonitrile

SCHEMBL3403014

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

nearest known ligand 0.54

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.54
TSHR P16473 3/20 0.49
ZDHHC20 Q5W0Z9 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAAA Q02083 1/20 0.38
HPGD P15428 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.36
ATM Q13315 1/20 0.36

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 SCHEMBL315873 0.94 HCAR2 (0.51) HCAR2TSHRZDHHC20KDM4EALDH1A1
SCHEMBL8029458 0.90 HCAR2 (0.65) HCAR2TSHRKDM4EALDH1A1LMNA
SCHEMBL8639870 0.90 HCAR2 (0.65) HCAR2TSHRKDM4EALDH1A1LMNA
SCHEMBL10939210 0.90 HCAR2 (0.65) HCAR2TSHRKDM4EALDH1A1LMNA
SCHEMBL2133445 0.90 HCAR2 (0.65) HCAR2TSHRKDM4EALDH1A1LMNA
Acrylic Acid SCHEMBL11505785 0.89 HCAR2 (0.59) HCAR2TSHRKDM4EALDH1A1LMNA
SCHEMBL5146107 0.89 HCAR2 (0.64) HCAR2TSHRKDM4EALDH1A1LMNA
SCHEMBL1078981 0.84 HCAR2 (0.62) HCAR2TSHRKDM4EALDH1A1LMNA
SCHEMBL3920654 0.83 TSHR (0.69) HCAR2TSHRKDM4EALDH1A1LMNA
SCHEMBL11682342 0.83 TSHR (0.54) HCAR2TSHRZDHHC20ALDH1A1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003106607-A1 SILICONE EMULSION ENZYME SYSTEMS DOW CORNING CORPORATION (US) 2003-12-24 WO claimed
EP-3067410-A2 CLEANING COMPOSITIONS The Procter and Gamble Company (US) 2016-09-14 EP disclosed
US-20160122691-A1 CLEANING COMPOSITIONS PROCTER & GAMBLE (US) 2016-05-05 US disclosed
US-20140274862-A1 CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-09-18 US disclosed
EP-2252682-A1 CLEANING COMPOSITIONS The Procter & Gamble Company (US) 2010-11-24 EP disclosed
US-20090209447-A1 CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2009-08-20 US disclosed
WO-2009102854-A1 CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2009-08-20 WO disclosed
WO-2003106607-A1 SILICONE EMULSION ENZYME SYSTEMS DOW CORNING CORPORATION (US) 2003-12-24 WO disclosed
EP-0876205-B1 PARTICLES HAVING A POLYMERIC SHELL AND THEIR PRODUCTION CIBA SPEC CHEM WATER TREAT LTD (GB) 2002-05-02 EP disclosed
US-6359031-B1 FORMING WATER IN OIL DISPERSION OF AQUEOUS CORE COMPRISING CORE MATERIAL AND REACTANT IN WATER IMMISCIBLE LIQUID WHICH CONTAINS AN OIL SOLUBLE OR OIL SWELLABLE POLYMERIC STABILISER, BLENDING DISPERSION TO FORM SHELL CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2002-03-19 US disclosed
EP-0873183-B1 ENZYME-CONTAINING PARTICLES AND LIQUID DETERGENT CONCENTRATE NOVOZYMES AS (DK) 2001-09-26 EP disclosed
US-6242405-B1 Cis configuration NOVO NORDISK A/S (DK) 2001-06-05 US disclosed
US-6225372-B1 FOR PRODUCING MEMBRANES SUCH AS FOR CAPSULE WALLS CIBA SPECIALITY CHEMICALS WATER TREATMENTS, LIMITED (GB) 2001-05-01 US disclosed
EP-0873183-A1 ENZYME-CONTAINING PARTICLES AND LIQUID DETERGENT CONCENTRATE Ciba Specialty Chemicals Water Treatments Limited (GB) 1998-10-28 EP disclosed
WO-1997024177-A1 ENZYME-CONTAINING PARTICLES AND LIQUID DETERGENT CONCENTRATE ALLIED COLLOIDS LIMITED (GB) 1997-07-10 WO disclosed