SCHEMBL5494693

SCHEMBL5494693

CC(C)CP(=O)(CC(C)C)OCCCCOP(=O)(CC(C)C)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
LPAR3 Q9UBY5 6/20 0.37
LPAR2 Q9HBW0 5/20 0.37
LPAR1 Q92633 4/20 0.37
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL5491381 0.95 CYP3A4 (0.37) CYP3A4LPAR3LPAR2LPAR1TRPM8
SCHEMBL5484409 0.90 TRPM8 (0.34) CYP3A4TRPM8
Phosphine SCHEMBL6544609 0.88 LPAR3 (0.52) CYP3A4LPAR3LPAR2LPAR1TRPM8
SCHEMBL575520 0.83 TRPM8 (0.40) CYP3A4LPAR3LPAR2LPAR1TRPM8
SCHEMBL2510789 0.81 CYP3A4 (0.50) CYP3A4LPAR3LPAR2LPAR1TRPM8
SCHEMBL585621 0.77 ALDH1A1 (0.35) CYP3A4TRPM8
SCHEMBL575511 0.77 TSHR (0.46) TRPM8
SCHEMBL5486351 0.76
SCHEMBL5485248 0.76 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL7033791 0.73 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1TRPM8

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