SCHEMBL28977939

SCHEMBL28977939

CC(=O)CCC(=O)OP(=O)(O)OP(=O)(O)O.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.42
ALDH1A1 P00352 1/20 0.39
FNTA P49354 4/20 0.35
PGGT1B P53609 3/20 0.35
FNTB P49356 2/20 0.35
MVD P53602 2/20 0.33
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
FDPS P14324 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
Phosphoric Acid SCHEMBL28977937 0.82 ALDH1A1 (0.43) ALDH1A1LMNASLC15A2
SCHEMBL1685045 0.81 ALDH1A1 (0.48) BTN3A1ALDH1A1LMNASLC15A2
SCHEMBL30098820 0.80 ALDH1A1 (0.44) BTN3A1ALDH1A1FNTAPGGT1BFNTB
SCHEMBL4957043 0.80 MVD (0.41) BTN3A1MVDLMNAFDPSBLM
SCHEMBL28212721 0.78 BTN3A1 (0.38) BTN3A1FNTAFNTBMVDFDPS
SCHEMBL1001203 0.77 LPAR3 (0.48) LPAR1LPAR3
SCHEMBL27498478 0.76 BTN3A1 (0.36) BTN3A1ALDH1A1FNTAFNTBMVD
SCHEMBL31514330 0.76 LPAR3 (0.54) LMNALPAR1LPAR3
SCHEMBL28622490 0.75 BTN3A1 (0.39) BTN3A1FNTAFNTBMVDFDPS
SCHEMBL8026817 0.74 FDPS (0.43) BTN3A1FNTAPGGT1BFNTBMVD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115887363-A Fructose diphosphate sodium oral solution for nourishing cardiac muscle 时雨 2023-04-04 CN disclosed