SCHEMBL575200

SCHEMBL575200

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

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
SCHEMBL6415830 0.81 TSHR (0.32)
SCHEMBL5963248 0.81 SMPD1 (0.35) SMPD1LPAR3LPAR1LPAR2
SCHEMBL5964202 0.81 SMPD1 (0.40) SMPD1LPAR3LPAR1LPAR2FDPS
SCHEMBL5964208 0.79 SMPD1 (0.34) SMPD1LPAR3LPAR1LPAR2
SCHEMBL5908903 0.79 SMPD1 (0.39) SMPD1LPAR3LPAR1LPAR2FDPS
SCHEMBL5963619 0.78 SMPD1 (0.33) SMPD1
SCHEMBL16424039 0.77 SMPD1 (0.31) SMPD1
SCHEMBL5963861 0.77 SMPD1 (0.44) SMPD1LPAR3LPAR1LPAR2FDPS
SCHEMBL5964182 0.77 SMPD1 (0.33) SMPD1
SCHEMBL17456402 0.74 KDM4E (0.31)

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 4 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
EP-2418723-A1 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same Mitsubishi Chemical Corporation (JP) 2012-02-15 EP disclosed
EP-2378602-A2 Nonaqueous electrolyte for recherable battery, and recharchable battery with nonaqueous electrolyte Mitsubishi Chemical Corporation (JP) 2011-10-19 EP disclosed
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