Acrylonitrile

Acrylonitrile

SCHEMBL3176746

C=CC#N.CCC(=CC=C(Cl)Cl)C(=O)O

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
Itaconate SCHEMBL11596667 0.89 ALOX15 (0.42)
SCHEMBL10632267 0.85 FFAR3 (0.35) TSHR
Methacrylic Acid SCHEMBL8082068 0.80
Acrylonitrile SCHEMBL10699526 0.80 APEX1 (0.35) ALDH1A1
Itaconate SCHEMBL8441276 0.75 ALOX15 (0.47) TSHR
SCHEMBL9452156 0.74
SCHEMBL158310 0.74 FFAR3 (0.44) ALDH1A1TSHR
Acrylic Acid SCHEMBL5272754 0.73 ALOX15 (0.36)
Propionic Acid SCHEMBL28100262 0.72
SCHEMBL17265275 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101062601-B Air-blocking structure IND TECH RES INST 2010-11-24 CN disclosed
EP-2247280-A1 FILM FORMING PERSONAL CARE COMPOSITIONS The Procter & Gamble Company (US) 2010-11-10 EP disclosed
US-20100021409-A1 Film Forming Personal Care Compositions THE PROCTER & GAMBLE COMPANY 2010-01-28 US disclosed
US-20100008883-A1 FILM FORMING PERSONAL CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2010-01-14 US disclosed
WO-2009101583-A1 FILM FORMING PERSONAL CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2009-08-20 WO disclosed