SCHEMBL28016709

SCHEMBL28016709

CCCC[PH](CCCC)(CCCC)CCCC.CCOP(O)(=S)SCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LPAR3 Q9UBY5 10/20 0.35
LPAR2 Q9HBW0 9/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LPAR1 Q92633 6/20 0.31
LPAR6 P43657 3/20 0.31
LPAR4 Q99677 3/20 0.31
LPAR5 Q9H1C0 3/20 0.31

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
SCHEMBL600224 0.83
Hydrochloric Acid SCHEMBL10902483 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10LPAR3LPAR2
Ammonia Solution, Strong SCHEMBL3709480 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10LPAR3LPAR2
SCHEMBL28392794 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10LPAR3LPAR2
SCHEMBL28263558 0.81 LPAR2 (0.36) ALDH1A1CYP3A4HSD17B10LPAR3LPAR2
SCHEMBL11572694 0.77 LPAR3 (0.42) ALDH1A1CYP3A4HSD17B10LPAR3LPAR2
SCHEMBL11693222 0.76 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1LPAR6
SCHEMBL11124800 0.74 LPAR3 (0.44) ALDH1A1CYP3A4HSD17B10LPAR3LPAR2
Hydrochloric Acid SCHEMBL10902169 0.74 LPAR3 (0.48) CYP3A4LPAR3LPAR2LPAR1LPAR6
SCHEMBL11694818 0.73 LPAR3 (0.47) LPAR3LPAR2LPAR1LPAR6LPAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104662086-B Thermosetting resin composition, method for producing same, method for producing cured resin, and method for self-polymerizing epoxy compound 三菱化学株式会社 2018-04-17 CN disclosed
CN-106574038-A Thermosetting resin composition and molded article thereof 三菱化学株式会社 2017-04-19 CN disclosed
CN-104662086-A Thermosetting resin composition, method for producing same, method for producing cured resin, and method for self-polymerizing epoxy compound MITSUBISHI CHEM CORP 2015-05-27 CN disclosed