SCHEMBL5486817

SCHEMBL5486817

CCCCP(=O)(CCCC)OCCCCOP(=O)(CCCC)CCCC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
LPAR3 Q9UBY5 8/20 0.52
LPAR2 Q9HBW0 6/20 0.52
LPAR1 Q92633 3/20 0.52
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CDC25A P30304 1/20 0.41
AGTR1 P30556 1/20 0.41
AKT1 P31749 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL1726028 0.98 LPAR3 (0.56) CYP3A4LPAR3LPAR2LPAR1HPGD
SCHEMBL1727210 0.95 LPAR3 (0.59) CYP3A4LPAR3LPAR2LPAR1HPGD
SCHEMBL10496321 0.95 LPAR3 (0.59) CYP3A4LPAR3LPAR2LPAR1HPGD
SCHEMBL1727870 0.95 LPAR3 (0.59) CYP3A4LPAR3LPAR2LPAR1HPGD
SCHEMBL5485224 0.95 CYP3A4 (0.54) CYP3A4LPAR3LPAR2LPAR1HPGD
SCHEMBL575549 0.95 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1HPGD
SCHEMBL16174953 0.93 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1LMNA
SCHEMBL11319823 0.93 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1LMNA
SCHEMBL7622880 0.93 LPAR3 (0.56) CYP3A4LPAR3LPAR2LPAR1LMNA
SCHEMBL5491031 0.92 CYP3A4 (0.50) CYP3A4LPAR3LPAR2LPAR1HPGD

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