SCHEMBL7613593

SCHEMBL7613593

O=C([O-])c1cccc2c1Cc1ccccc1O2.O=C([O-])c1cccc2c1Cc1ccccc1O2.O=C([O-])c1cccc2c1Cc1ccccc1O2.[Cr+3]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
ACSL1 P33121 1/20 0.35
ALOX5 P09917 1/20 0.35
TRPA1 O75762 3/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6404019 0.98 MAOA (0.50) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL8797356 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL2808054 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL6228093 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL6906279 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL729661 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL2974202 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL11409820 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL5050436 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
Lithium Ion SCHEMBL3894543 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465585-B2 REACTION PRODUCT OF A CHROMIUM CONTAINING COMPOUND, AN ORGANOMAGNESIUM COMPOUND AND A SILYL PHOSPHONATE BRIDGESTONE CORPORATION (JP) 2002-10-15 US claimed
US-20020115558-A1 CHROMIUM-BASED CATALYST COMPOSITION FOR PRODUCING CONJUGATED DIENE POLYMERS BRIDGESTONE CORP. 2002-08-22 US claimed
WO-2001079308-A2 CR-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF CONJUGATED DIENE RUBBER BRIDGESTONE CORPORATION (JP) 2001-10-25 WO claimed
US-6291591-B1 PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING 1,3-BUTADIENE BY USING A CATALYST WHICH IS COMBINATION OF OR THE REACTION PRODUCT OF CHROMIUM COMPOUND, HYDROGEN PHOSPHITE, ORGANOMAGNESIUM COMPOUND BRIDGESTONE CORPORATION (JP) 2001-09-18 US claimed