SCHEMBL5311772

SCHEMBL5311772

CCCCCCCCCCCCCCCCC(O)(O)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.48
GGPS1 O95749 7/20 0.48
CES2 O00748 4/20 0.47
SMPD1 P17405 1/20 0.44
CES1 P23141 2/20 0.42

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
SCHEMBL5311423 1.00 FDPS (0.48) FDPSGGPS1CES2SMPD1CES1
SCHEMBL5307280 1.00 FDPS (0.48) FDPSGGPS1CES2SMPD1CES1
SCHEMBL1080618 0.98 FDPS (0.46) FDPSGGPS1CES2SMPD1CES1
SCHEMBL27527178 0.90 CES1 (0.39) FDPSGGPS1CES2CES1
Phosphoric Acid SCHEMBL6271563 0.89 FDPS (0.55) FDPSGGPS1SMPD1
Phosphoric Acid SCHEMBL2933610 0.82 GGPS1 (0.50) FDPSGGPS1
SCHEMBL6056892 0.81 FDPS (0.48) FDPSGGPS1CES2
SCHEMBL1916481 0.81 FDPS (0.48) FDPSGGPS1CES2
SCHEMBL6056853 0.81 FDPS (0.48) FDPSGGPS1CES2
SCHEMBL1990820 0.81 FDPS (0.48) FDPSGGPS1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007031184-A2 METHOD FOR PRODUCING ETHERS FROM ACYL- COMPOUNDS AND LONG-CHAINED ALCOHOLS USING AN ALKYLDIHYDROXYACETON PHOSPHATE SYNTHESIS EVONIK GOLDSCHMIDT GMBH (DE) 2007-03-22 WO disclosed
US-20070059789-A1 Process for the enzymatic synthesis of ethers GOLDSCHMIDT GMBH (DE) 2007-03-15 US disclosed