SCHEMBL5491463

SCHEMBL5491463

CCP(=O)(CC)OCCCOP(=O)(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
LPAR3 Q9UBY5 7/20 0.41
LPAR2 Q9HBW0 5/20 0.41
LPAR1 Q92633 4/20 0.41
TSHR P16473 3/20 0.39
SAT1 P21673 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CDC25A P30304 1/20 0.32
AGTR1 P30556 1/20 0.32
AKT1 P31749 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 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
SCHEMBL5485248 0.94 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL575803 0.89 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL5488959 0.88 TSHR (0.43) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28228018 0.87 LPAR3 (0.58) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28534817 0.85 PPARD (0.41) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL31065565 0.85 LPAR3 (0.61) CYP3A4LPAR3LPAR2LPAR1LMNA
SCHEMBL11668416 0.85 LPAR3 (0.61) CYP3A4LPAR3LPAR2LPAR1LMNA
SCHEMBL27845150 0.85 LPAR3 (0.61) CYP3A4LPAR3LPAR2LPAR1LMNA
SCHEMBL31065561 0.85 LPAR3 (0.61) CYP3A4LPAR3LPAR2LPAR1LMNA
SCHEMBL27826149 0.85 LPAR3 (0.61) CYP3A4LPAR3LPAR2LPAR1LMNA

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