SCHEMBL6904580

SCHEMBL6904580

CCCNC1CC=C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.37
DRD3 P35462 7/20 0.37
DRD4 P21917 4/20 0.37
HTR1B P28222 3/20 0.37
HTR1D P28221 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 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
SCHEMBL6913016 0.83
SCHEMBL6910114 0.81 DRD2 (0.42) DRD2DRD3DRD4HTR1BHTR1D
SCHEMBL6911971 0.81 DRD3 (0.42) DRD2DRD3DRD4HTR1BHTR1D
SCHEMBL6910637 0.76 MEN1 (0.32) DRD2DRD3DRD4CYP1A2CYP2D6
SCHEMBL6908629 0.76 MEN1 (0.32) DRD2DRD3DRD4CYP1A2CYP2D6
SCHEMBL6903938 0.72 DRD2 (0.39) DRD2DRD3DRD4HTR1BHTR1D
SCHEMBL5864428 0.72
SCHEMBL14562079 0.71 DRD2 (0.43) DRD2DRD3DRD4HTR1BHTR1D
SCHEMBL11058896 0.70 DRD2 (0.36) DRD2DRD3DRD4
SCHEMBL6908624 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100535040-C Oxygen scavenger for reducing oxidation products of plastic film and beverage and food container CHEVRON PHILIPS CHEMICAL CO SE (US) 2009-09-02 CN claimed
EP-1066337-B1 OXYGEN SCAVENGERS WITH REDUCED OXIDATION PRODUCTS FOR USE IN PLASTIC FILMS AND BEVERAGE AND FOOD CONTAINERS CHEVRON PHILLIPS CHEMICAL CO (US) 2004-11-03 EP claimed
CN-1515608-A Oxygen scavenger for reducing oxidation products of plastic film and beverage and food container �з��ﰺ�����ջ�ѧ�������ι�˾ 2004-07-28 CN claimed
CN-1301280-A Oxygen scavenger for reducing oxidation products for plastic films and beverage and food containers CHEVRON CHEM CO (US) 2001-06-27 CN claimed
CN-100535040-C Oxygen scavenger for reducing oxidation products of plastic film and beverage and food container CHEVRON PHILIPS CHEMICAL CO SE (US) 2009-09-02 CN disclosed
CN-1515608-A Oxygen scavenger for reducing oxidation products of plastic film and beverage and food container �з��ﰺ�����ջ�ѧ�������ι�˾ 2004-07-28 CN disclosed
CN-1129633-C Oxygen scavenger for reducing oxidation products for plastic films and beverage and food containers CHEVRON PHILIP CHEMICAL CO LLC (US) 2003-12-03 CN disclosed
CN-1301280-A Oxygen scavenger for reducing oxidation products for plastic films and beverage and food containers CHEVRON CHEM CO (US) 2001-06-27 CN disclosed