SCHEMBL2399346

SCHEMBL2399346

COCCOC(=O)OOC(=O)OCCOC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
SOAT1 P35610 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
XIAP P98170 1/20 0.32
KMT2A Q03164 1/20 0.32
PLEC Q15149 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL632548 0.93 TSHR (0.41) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL302273 0.88 TSHR (0.48) TSHRALDH1A1SMN1; SMN2GAARAB9A
Ammonia Solution, Strong SCHEMBL9998254 0.86 TSHR (0.46) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL17004743 0.85 TSHR (0.36) TSHRALDH1A1CA2ABCB11CYP3A4
SCHEMBL598491 0.84 ALDH1A1 (0.48) TSHRALDH1A1RECQLCYP3A4
SCHEMBL577006 0.83
SCHEMBL3542471 0.81 TSHR (0.43) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL3541324 0.81 TSHR (0.43) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL1469808 0.81 TSHR (0.43) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL3541649 0.81 TSHR (0.43) TSHRALDH1A1SMN1; SMN2GAARAB9A

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
JP-56086911-A None JP disclosed
US-20110230625-A1 FLAME-RETARDANT POLYESTER RESIN COMPOSITION KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2011-09-22 US disclosed
US-20110229673-A1 FLAME-RETARDANT POLYESTER RESIN COMPOSITION AND BLOW MOLDED CONTAINER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2011-09-22 US disclosed
JP-S5686911-A PREPARATION OF POLYVINYL CHLORIDE HAVING IMPROVED THERMAL STABILITY KANEGAFUCHI CHEM IND CO LTD 1981-07-15 JP disclosed