Acrylonitrile

Acrylonitrile

SCHEMBL9419946

C=CC#N.C=CC(=O)OC(C)OCC.C=CC(=O)OCCCC.C=COC(=O)CCl

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
HCAR2 Q8TDS4 1/20 0.30

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 SCHEMBL9419944 0.84 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11398066 0.81 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL7095062 0.80 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL11116930 0.78 TSHR (0.37) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylonitrile SCHEMBL5833833 0.76 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL2146545 0.76 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL3395338 0.74 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL1091906 0.74 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL6754394 0.74 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4ATM
1,1-Dichloroethene SCHEMBL8510978 0.73 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296555-A Rubber composition of strong adhesion to metal and hose structure using the same THE YOKOHAMA RUBBER CO., LTD. (JP) 1994-03-22 US claimed
US-5077108-A Improved adhesion, heat, oil, solvent resistant THE YOKOHAMA RUBBER CO., LTD. (JP) 1991-12-31 US claimed
US-5068137-A Rubbery laminate and composite hose THE YOKOHAMA RUBBER COMPANY (JP) 1991-11-26 US claimed
US-5296555-A Rubber composition of strong adhesion to metal and hose structure using the same THE YOKOHAMA RUBBER CO., LTD. (JP) 1994-03-22 US disclosed
EP-0296890-B1 HOSES THE YOKOHAMA RUBBER CO., LTD. (JP) 1993-04-28 EP disclosed
US-5158113-A Heavy-duty hose having a multi-layered core tube THE YOKOHAMA RUBBER CO., LTD. 1992-10-27 US disclosed
US-5077108-A Improved adhesion, heat, oil, solvent resistant THE YOKOHAMA RUBBER CO., LTD. (JP) 1991-12-31 US disclosed
US-5068137-A Rubbery laminate and composite hose THE YOKOHAMA RUBBER COMPANY (JP) 1991-11-26 US disclosed
EP-0296890-A2 Hoses THE YOKOHAMA RUBBER CO., LTD. (JP) 1988-12-28 EP disclosed