SCHEMBL4741801

SCHEMBL4741801

CCCCCCCCCCCCC1CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
EPHX1 P07099 1/20 0.41
HLCS P50747 2/20 0.40
ALDH1A1 P00352 2/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CYP19A1 P11511 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR4 O00206 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL30931490 1.00 CYP1A2 (0.50) CYP1A2EPHX1HLCSALDH1A1S1PR2
SCHEMBL2692573 1.00 CYP1A2 (0.50) CYP1A2EPHX1HLCSALDH1A1S1PR2
SCHEMBL30518306 1.00 CYP1A2 (0.50) CYP1A2EPHX1HLCSALDH1A1S1PR2
SCHEMBL8025402 1.00 CYP1A2 (0.50) CYP1A2EPHX1HLCSALDH1A1S1PR2
SCHEMBL8040250 1.00 CYP1A2 (0.50) CYP1A2EPHX1HLCSALDH1A1S1PR2
SCHEMBL30931491 1.00 CYP1A2 (0.50) CYP1A2EPHX1HLCSALDH1A1S1PR2
Ammonia Solution, Strong SCHEMBL26982674 0.98 CYP1A2 (0.49) CYP1A2EPHX1HLCSALDH1A1S1PR2
SCHEMBL2690407 0.98 CYP1A2 (0.47) CYP1A2EPHX1HLCSALDH1A1S1PR2
SCHEMBL2691796 0.91
SCHEMBL6897307 0.88 CYP1A2 (0.47) CYP1A2EPHX1HLCSALDH1A1S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111307964-B Method for determining 2-dodecyl cyclobutanone in lipid-containing irradiated food 南通市产品质量监督检验所 2022-09-16 CN claimed
CN-111307964-A Method for determining 2-dodecyl cyclobutanone in lipid-containing irradiated food 南通市产品质量监督检验所 2020-06-19 CN claimed
CN-111307964-B Method for determining 2-dodecyl cyclobutanone in lipid-containing irradiated food 南通市产品质量监督检验所 2022-09-16 CN disclosed
CN-111307964-B Method for determining 2-dodecyl cyclobutanone in lipid-containing irradiated food 南通市产品质量监督检验所 2022-09-16 CN disclosed
CN-111307964-B Method for determining 2-dodecyl cyclobutanone in lipid-containing irradiated food 南通市产品质量监督检验所 2022-09-16 CN disclosed
CN-111307964-A Method for determining 2-dodecyl cyclobutanone in lipid-containing irradiated food 南通市产品质量监督检验所 2020-06-19 CN disclosed
CN-104569266-B A kind of method of 2-dodecyl cyclobutanone content in quick detection irradiation fat-containing food 北京市农林科学院 2016-08-24 CN disclosed
CN-104569266-A Method for quickly detecting content of 2-DCB (2-dodecylcyclobutanone) in irradiated foods containing fat BEIJING ACAD AGRIC & FORESTRY 2015-04-29 CN disclosed
CN-104569266-A Method for quickly detecting content of 2-DCB (2-dodecylcyclobutanone) in irradiated foods containing fat BEIJING ACAD AGRIC & FORESTRY 2015-04-29 CN disclosed
CN-104569266-A Method for quickly detecting content of 2-DCB (2-dodecylcyclobutanone) in irradiated foods containing fat BEIJING ACAD AGRIC & FORESTRY 2015-04-29 CN disclosed
CN-101251516-B Method for measuring radiolysis product 2-dodecylcyclobutanone Institute of Food Science and Technology, Chinese Academy of Agricultural Sciences (CN) 2012-02-01 CN disclosed
CN-101251516-B Method for measuring radiolysis product 2-dodecylcyclobutanone Institute of Food Science and Technology, Chinese Academy of Agricultural Sciences (CN) 2012-02-01 CN disclosed
CN-101793878-A Detection method for specific radiolysis product of fat-containing food treated by ionizing radiation exposure ANIMAL PLANT AND FOOD TESTING CT OF TIANJIN ENTRY EXIT INSPECTION AND QUARANTIME BUREAU 2010-08-04 CN disclosed
CN-101251516-A Method for measuring radiolysis offspring 2-dodecyl ring butanone INST OF AGRICULTURAL PRODUCT P (CN) 2008-08-27 CN disclosed
WO-2008089010-A1 PREPARATION OF SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-07-24 WO disclosed