Acrylonitrile

Acrylonitrile

SCHEMBL194986

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

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
HPGD P15428 1/20 0.59
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.42
ZDHHC20 Q5W0Z9 2/20 0.42
ZDHHC2 Q9UIJ5 2/20 0.42
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCAR2 Q8TDS4 3/20 0.39
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 2/20 0.35
ACHE P22303 2/20 0.33

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
SCHEMBL8170458 0.92 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL22158684 0.87 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL5833833 0.87 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL2146545 0.87 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL4255568 0.86 TSHR (0.38) TSHRHPGDALDH1A1CYP3A4ZDHHC20
Acrylic Acid Methyl Ester SCHEMBL21623864 0.84 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL26970011 0.84 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL27953278 0.84 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL28102809 0.84 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL2536972 0.84 TSHR (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403038-B1 ELECTRODE FOR LITHIUM-ION SECONDARY BATTERY ZEON CORP (JP) 2017-09-20 EP disclosed
US-8822074-B2 Electrode for lithium-ion secondary battery ZEON CORPORATION (JP) 2014-09-02 US disclosed
EP-2403038-A1 ELECTRODE FOR LITHIUM-ION SECONDARY BATTERY Zeon Corporation (JP) 2012-01-04 EP disclosed