SCHEMBL722750

SCHEMBL722750

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
FDPS P14324 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PGD P52209 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
SCHEMBL723967 0.76 LMNA (0.38) PGK1PGK2FDPSPGD
SCHEMBL12234183 0.68 FDPS (0.50) FDPSBLMTDP1
Cadaverine Tartrate SCHEMBL27451949 0.66 TSHR (0.56) PGK1PGK2FDPSBLMTDP1
SCHEMBL14439488 0.64 FDPS (0.45) PGK1PGK2FDPSBLMTDP1
SCHEMBL28623681 0.63 LMNA (0.57) PGK1PGK2FDPSBLMTDP1
SCHEMBL20003769 0.63 FDPS (0.38) FDPSBLMTDP1
SCHEMBL194255 0.62
SCHEMBL640168 0.62
SCHEMBL2035324 0.62
Pyrophosphoric Acid SCHEMBL9477890 0.62 FDPS (0.67) PGK1PGK2FDPSBLMTDP1

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
WO-2012027642-A1 BALANCED FOUR-STEP PATHWAYS TO RENEWABLE BUTANOLS GEVO, INC. (US) 2012-03-01 WO disclosed