SCHEMBL11089244

SCHEMBL11089244

O=P(O)(O)C(O)c1ccccc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 3/20 0.63
▸ CNR2 P34972 2/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ PGK1 P00558 3/20 0.41
▸ PGK2 P07205 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PTPN1 P18031 1/20 0.38
▸ CDC14B O60729 1/20 0.38
▸ CDC14A Q9UNH5 1/20 0.38
▸ NFKB1 P19838 1/20 0.36

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
SCHEMBL8938022 0.77 ACP3 (1.00) ACP3CNR2
SCHEMBL9776265 0.76 ACP3 (0.50) ACP3CNR2GRIN2DGRIN3BGRIN1
SCHEMBL7570359 0.76 ACP3 (0.50) ACP3CNR2LMNAGAANFKB1
SCHEMBL30903830 0.76 ACP3 (0.50) ACP3CNR2GRIN2DGRIN3BGRIN1
SCHEMBL4214299 0.72 ACP3 (0.47) ACP3CNR2LMNAGAANFKB1
SCHEMBL308175 0.72 ACP3 (0.47) ACP3CNR2LMNAGAANFKB1
SCHEMBL29580255 0.72 ACP3 (0.47) ACP3CNR2LMNAGAA
SCHEMBL29907993 0.72 ACP3 (0.47) ACP3CNR2LMNAGAA
SCHEMBL13168657 0.72 ACP3 (0.47) ACP3CNR2LMNAGAA
SCHEMBL1047627 0.72 ACP3 (0.47) ACP3CNR2LMNAGAA

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
US-4471118-A Preparation of aldehydes by heating an α-hydroxyphosphonic acid ester BAYER AKTIENGESELLSCHAFT (DE) 1984-09-11 — — US disclosed
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