SCHEMBL5963622

SCHEMBL5963622

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.39
FDPS P14324 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSA P10619 1/20 0.36
ACHE P22303 1/20 0.36
CA2 P00918 2/20 0.35
LAP3 P28838 3/20 0.35
METAP1 P53582 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
PIN1 Q13526 1/20 0.32
ANPEP P15144 3/20 0.31
ERAP1 Q9NZ08 1/20 0.31
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
SCHEMBL11908185 0.89 SMPD1 (0.34) SMPD1FDPSBLMTDP1CTSA
SCHEMBL2475819 0.88 LAP3 (0.38) SMPD1FDPSBLMTDP1CTSA
SCHEMBL12960884 0.88 LAP3 (0.38) SMPD1FDPSBLMTDP1CTSA
SCHEMBL11909257 0.85 CA4 (0.38) SMPD1FDPSBLMTDP1CTSA
Ammonia Solution, Strong SCHEMBL28407531 0.85 LAP3 (0.36) SMPD1FDPSBLMTDP1CTSA
SCHEMBL183350 0.83 LAP3 (0.40) SMPD1FDPSBLMTDP1LAP3
SCHEMBL3840740 0.83 SMPD1 (0.34) SMPD1FDPSBLMTDP1CTSA
SCHEMBL28097592 0.83 LAP3 (0.40) SMPD1FDPSBLMTDP1LAP3
SCHEMBL28873876 0.83 SMPD1 (0.34) SMPD1FDPSBLMTDP1CTSA
SCHEMBL4954493 0.83 LAP3 (0.40) SMPD1FDPSBLMTDP1LAP3

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
CN-114122512-B Solid electrolyte, method for preparing the same, and solid secondary battery comprising the same 合肥工业大学 2023-07-25 CN claimed
CN-114122512-B Solid electrolyte, method for preparing the same, and solid secondary battery comprising the same 合肥工业大学 2023-07-25 CN disclosed
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