SCHEMBL5490393

SCHEMBL5490393

CCCP(=O)(CCC)OCCOP(=O)(CCC)CCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
TSHR P16473 3/20 0.41
PPARD Q03181 2/20 0.37
LPAR3 Q9UBY5 4/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL575794 0.92 CYP3A4 (0.40) CYP3A4TSHRPPARDLPAR3LPAR1
SCHEMBL5485170 0.89 CYP3A4 (0.50) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL5490397 0.89 CYP3A4 (0.50) CYP3A4TSHRPPARDLPAR3LPAR1
SCHEMBL1725766 0.87 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL5491031 0.83 CYP3A4 (0.50) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL5486906 0.83 CYP3A4 (0.44) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL2488309 0.83 CYP3A4 (0.56) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL575444 0.82 TSHR (0.50) CYP3A4TSHRPPARDTP53TDP1
SCHEMBL4246781 0.81 MEN1 (0.38) CYP3A4TSHRPPARDLPAR3LPAR1
SCHEMBL11594311 0.81 PPARD (0.48) CYP3A4PPARDLPAR3LPAR1LPAR2

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-20070087270-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SOLUTION SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-04-19 US disclosed
US-7169511-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte solution secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-30 US disclosed
EP-1555711-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY CONTAINING THE SAME Mitsubishi Chemical Corporation (JP) 2005-07-20 EP disclosed
US-20050014071-A1 Nonaqueous electrolyte solution and nonaqueous electrolyte solution secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-01-20 US disclosed