Acrylonitrile

Acrylonitrile

SCHEMBL9419944

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 5/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 3/20 0.39
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 2/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL11398066 0.85 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL7095062 0.84 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
Acrylonitrile SCHEMBL9419946 0.84 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL11116930 0.83 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL3395338 0.81 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9501016 0.80 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Acrylonitrile SCHEMBL2146545 0.80 TSHR (0.79) TSHRHPGDALDH1A1TP53HIF1A
Acrylonitrile SCHEMBL5833833 0.80 TSHR (0.79) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL3886301 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL1091906 0.79 TSHR (0.71) TSHRHPGDALDH1A1TP53HIF1A

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 6 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
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