SCHEMBL5963785

SCHEMBL5963785

CC(C)(OP(=O)(O)O)C(C)(C)OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
FDPS P14324 2/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMPD1 P17405 3/20 0.38
CA2 P00918 1/20 0.35
GRM4 Q14833 1/20 0.31
CA4 P22748 1/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30

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
SCHEMBL17923494 0.85 LMNA (0.41) LMNAFDPSBLMTDP1SMPD1
SCHEMBL29185404 0.83 PGK1 (0.36) LMNAFDPSBLMTDP1SMPD1
SCHEMBL13943167 0.83 SMPD1 (0.45) LMNAFDPSBLMTDP1SMPD1
SCHEMBL28729195 0.80 LMNA (0.40) LMNAFDPSBLMTDP1SMPD1
SCHEMBL332472 0.80
SCHEMBL27570533 0.80 LMNA (0.40) LMNAFDPSBLMTDP1SMPD1
Ammonia Solution, Strong SCHEMBL17670033 0.78 LMNA (0.38) LMNAFDPSBLMTDP1SMPD1
SCHEMBL10316741 0.78 LPAR3 (0.39) SMPD1PGK1PGK2
Ammonia Solution, Strong SCHEMBL1310966 0.78 LMNA (0.38) LMNAFDPSBLMTDP1SMPD1
SCHEMBL5400918 0.78 LMNA (0.38) LMNAFDPSBLMTDP1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060172201-A1 Non-aqueous electrolyte and lithium secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-03 US disclosed
EP-1357628-A1 NONAQUEOUS ELECTROLYTIC LIQUIDS AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-10-29 EP disclosed