SCHEMBL5963813

SCHEMBL5963813

CCC(C)C(OP(=O)(O)O)C(C)OP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.38
LAP3 P28838 3/20 0.33
METAP1 P53582 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL3898905 0.89 SMPD1 (0.42) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL16225024 0.84 SMPD1 (0.42) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL29068473 0.80 SMPD1 (0.39) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL5963773 0.79 SMPD1 (0.33) SMPD1LAP3MMP1MMP2
SCHEMBL29068439 0.76 SMPD1 (0.39) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL5963398 0.76 SMPD1 (0.39) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL5963622 0.75 SMPD1 (0.39) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL29068452 0.75 SMPD1 (0.42) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL485995 0.72
SCHEMBL29068472 0.71 METAP1 (0.52) SMPD1METAP1PTPN1

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