Acrylonitrile

Acrylonitrile

SCHEMBL315873

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

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.51
TSHR P16473 4/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32

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 SCHEMBL3403014 0.94 HCAR2 (0.54) HCAR2TSHRHPGDATMZDHHC20
SCHEMBL1078981 0.89 HCAR2 (0.62) HCAR2TSHRHPGDATMALDH1A1
Butadiene SCHEMBL11319000 0.88 HCAR2 (0.57) HCAR2TSHRHPGDATMALDH1A1
Acrylic Acid SCHEMBL10629796 0.88 HCAR2 (0.57) HCAR2TSHRHPGDATMALDH1A1
Acrylonitrile SCHEMBL6443897 0.86 TSHR (0.42) HCAR2TSHRHPGDATMZDHHC20
Acrylonitrile SCHEMBL9282459 0.85 ALDH1A1 (0.47) HCAR2TSHRHPGDALDH1A1MAPT
1,1-Dichloroethene SCHEMBL7547901 0.85 HCAR2 (0.57) HCAR2TSHRHPGDATMALDH1A1
SCHEMBL5146107 0.85 HCAR2 (0.64) HCAR2TSHRHPGDATMALDH1A1
Acrylic Acid SCHEMBL17387529 0.84 TSHR (0.49) HCAR2TSHRHPGDATMZDHHC20
Methacrylic Acid SCHEMBL794956 0.84 HCAR2 (0.56) HCAR2TSHRHPGDATMALDH1A1

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 438 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3266908-B1 ANTI-BACTERIAL METALLO IONOMER POLYMER NANOCOMPOSITE FILAMENTS AND METHODS OF MAKING THE SAME XEROX CORP (US) 2020-05-06 EP claimed
US-10570290-B2 Anti-bacterial aqueous ink compositions comprising metal ion composite ionomer resins XEROX CORPORATION (US) 2020-02-25 US claimed
EP-3266613-B1 ANTI-BACTERIAL METALLO IONOMER POLYMER COMPOSITE POWDERS AND METHODS OF MAKING THE SAME XEROX CORP (US) 2019-10-16 EP claimed
US-10405540-B2 Anti-bacterial metallo ionomer polymer nanocomposite filaments and methods of making the same XEROX CORPORATION (US) 2019-09-10 US claimed
US-10113059-B2 Anti-bacterial metallo ionomer polymer nanocomposite powders and methods of making the same XEROX CORPORATION (US) 2018-10-30 US claimed
US-10067434-B2 Emulsion aggregation toners XEROX CORPORATION (US) 2018-09-04 US claimed
US-10018931-B2 Toner compositions with optimized beta-carboxyethyl acrylate shell latex for improved particle formation and morphology XEROX CORPORATION (US) 2018-07-10 US claimed
US-10018930-B2 Toner comprising colorant wax dispersion XEROX CORPORATION (US) 2018-07-10 US claimed
US-10007200-B2 Antimicrobial toner XEROX CORPORATION (US) 2018-06-26 US claimed
US-9989873-B1 Toner compositions with antiplasticizers comprising purine derivative XEROX CORPORATION (US) 2018-06-05 US claimed
US-20070134577-A1 Toner composition XEROX CORPORATION 2007-06-14 US claimed
US-20070082287-A1 Toner processes XEROX CORPORATION 2007-04-12 US claimed
US-20070082980-A1 Latex processes XEROX CORPORATION 2007-04-12 US claimed
US-20070059630-A1 Emulsion polymerization process XEROX CORPORATION 2007-03-15 US claimed
US-20060286478-A1 Toner processes XEROX CORPORATION 2006-12-21 US claimed
US-20060154162-A1 Toner particles and methods of preparing the same XEROX CORPORATION (US) 2006-07-13 US claimed
US-5928829-A Latex processes XEROX CORPORATION (US) 1999-07-27 US claimed
US-5858601-A Toner processes XEROX CORPORATION (US) 1999-01-12 US claimed
US-5763133-A Toner compositions and processes XEROX CORPORATION (US) 1998-06-09 US claimed
US-5747215-A Toner compositions and processes XEROX CORPORATION (US) 1998-05-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10113059-B2 Anti-bacterial metallo ionomer polymer nanocomposite powders and methods of making the same RPN1, RPN2, MSH2 HCAR2 4553/4885TSHR 4205/4885HPGD 1695/4885
US-10405540-B2 Anti-bacterial metallo ionomer polymer nanocomposite filaments and methods of making the same TERB1, NBAS, MFAP1 HCAR2 4392/4885TSHR 4098/4885HPGD 2095/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.