SCHEMBL28070748

SCHEMBL28070748

CCN(CC)CC.OB(O)Oc1c(F)cc(F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL28070837 0.87 NPSR1 (0.34) KDM4EMEN1ALDH1A1MAPTTHRB
Trimethylammonium SCHEMBL28070834 0.86
SCHEMBL3671745 0.86 CA1 (0.32)
SCHEMBL29396896 0.86 CA1 (0.32)
Benzene SCHEMBL29853972 0.82 CA1 (0.30)
SCHEMBL4858235 0.73 CA1 (0.34) MAPT
SCHEMBL7629663 0.73
SCHEMBL7627034 0.73
SCHEMBL7626884 0.73
SCHEMBL28318738 0.72 CYP3A4 (0.39) TDP1

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
CN-103857706-B Kinetic Modulation of Metallocene Catalysts 埃克森美孚化学专利公司 2016-09-28 CN claimed
CN-106397636-B The dynamics of metalloscene catalyst is modulated 埃克森美孚化学专利公司 2019-09-20 CN disclosed
CN-106397636-A Dynamic modulation of metallocene catalysts 埃克森美孚化学专利公司 2017-02-15 CN disclosed
CN-103857706-B Kinetic Modulation of Metallocene Catalysts 埃克森美孚化学专利公司 2016-09-28 CN disclosed