SCHEMBL28652292

SCHEMBL28652292

CCCC(C)OP(=O)(O)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.45
FDPS P14324 6/20 0.43
SMPD1 P17405 3/20 0.38
CTSA P10619 1/20 0.36
ACHE P22303 1/20 0.36
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 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
SCHEMBL6889163 0.98 METAP1 (0.44) METAP1FDPSSMPD1CTSAACHE
SCHEMBL28643425 0.84 SMPD1 (0.55) FDPSSMPD1S1PR2S1PR4S1PR1
SCHEMBL28649201 0.84 SMPD1 (0.55) FDPSSMPD1S1PR2S1PR4S1PR1
SCHEMBL28389061 0.82
SCHEMBL2473811 0.82 SMPD1 (0.50) METAP1FDPSSMPD1S1PR2S1PR4
SCHEMBL2471725 0.82 METAP1 (0.48) METAP1FDPSSMPD1S1PR2S1PR4
SCHEMBL11386365 0.80 METAP1 (0.47) METAP1FDPSSMPD1GABBR2GABBR1
SCHEMBL28387073 0.80 FDPS (0.44) METAP1FDPSSMPD1S1PR2S1PR4
SCHEMBL27818853 0.80 METAP1 (0.47) METAP1FDPSSMPD1S1PR2S1PR4
SCHEMBL28652294 0.79 METAP1 (0.42) METAP1FDPSSMPD1S1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113632282-A Electrolyte for secondary battery and secondary battery 株式会社村田制作所 2021-11-09 CN disclosed
CN-106848406-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 CN disclosed
CN-105633345-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-01-17 CN disclosed