Acrylonitrile

Acrylonitrile

SCHEMBL5972385

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

nearest known ligand 0.53

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
THRB P10828 1/20 0.50
ALDH1A1 P00352 6/20 0.39
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLK1 P53350 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C9 P11712 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 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 SCHEMBL4005713 0.90 TSHR (0.64) TSHRTHRBALDH1A1HPGDHCAR2
Acrylonitrile SCHEMBL28108185 0.88 TSHR (0.62) TSHRTHRBALDH1A1HPGDHCAR2
Acrylonitrile SCHEMBL8948734 0.87 TSHR (0.75) TSHRTHRBALDH1A1HPGDHCAR2
Acrylonitrile SCHEMBL3194627 0.87 TSHR (0.75) TSHRTHRBALDH1A1HPGDHCAR2
Acrylonitrile SCHEMBL9562747 0.86 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
Acrylonitrile SCHEMBL3420296 0.85 ALDH1A1 (0.55) TSHRTHRBALDH1A1HPGDPOLB
Butadiene SCHEMBL3290172 0.85 TSHR (0.60) TSHRTHRBALDH1A1HPGDHCAR2
Acrylonitrile SCHEMBL28091084 0.85 THRB (0.74) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL21772349 0.84 TSHR (0.69) TSHRTHRBALDH1A1HPGDHCAR2
SCHEMBL16573 0.84

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-0888880-B1 CONDUCTIVE MULTILAYER BLOW MOLDING AND CONDUCTIVE RESIN COMPOSITION TORAY INDUSTRIES (JP) 2006-08-02 EP disclosed
US-6723400-B1 ELECTROCONDUCTIVE, MULTILAYERED HOLLOW MOLDINGS WITH GOOD, WELL-BALANCED HEAT RESISTANCE, HOT WATER RESISTANCE, CHEMICAL RESISTANCE, GASOHOL PERMEATION RESISTANCE, OUTWARD APPEARANCE, INTERLAYER ADHESION AND LOW-TEMP. STIFFNESS TORAY INDUSTRIES, INC. (JP) 2004-04-20 US disclosed
EP-0888880-A1 CONDUCTIVE MULTILAYER BLOW MOLDING AND CONDUCTIVE RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 1999-01-07 EP disclosed