SCHEMBL6415833

SCHEMBL6415833

CCC(F)(CC)C(F)(F)OP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.38
LPAR3 Q9UBY5 4/20 0.34
LPAR1 Q92633 3/20 0.34
LPAR2 Q9HBW0 2/20 0.34
FDPS P14324 1/20 0.30

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
SCHEMBL5963995 0.80 SMPD1 (0.37) SMPD1LPAR3LPAR1LPAR2FDPS
SCHEMBL5491040 0.77 TDP1 (0.39) SMPD1FDPS
SCHEMBL2699115 0.75 TDP1 (0.37) SMPD1FDPS
SCHEMBL575200 0.73 SMPD1 (0.38) SMPD1LPAR3LPAR1LPAR2FDPS
SCHEMBL5963976 0.72 SMPD1 (0.43) SMPD1LPAR3LPAR1LPAR2FDPS
SCHEMBL28282188 0.72 TDP1 (0.35) SMPD1FDPS
SCHEMBL28629438 0.72
SCHEMBL16109717 0.71 PGK1 (0.35) SMPD1FDPS
SCHEMBL5963992 0.71 SMPD1 (0.37) SMPD1LPAR3LPAR1LPAR2
SCHEMBL5964237 0.71 SMPD1 (0.37) SMPD1LPAR3LPAR1LPAR2

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
US-6924061-B1 Nonflammable non-aqueous electrolyte and non-aqueous electrolyte cells comprising the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF ARMY (US) 2005-08-02 US claimed
US-6924061-B1 Nonflammable non-aqueous electrolyte and non-aqueous electrolyte cells comprising the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF ARMY (US) 2005-08-02 US disclosed