SCHEMBL2990048

SCHEMBL2990048

O=C(CCP(=O)(O)O)C(CC(F)(F)F)CC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
TYMS P04818 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2994669 0.79 MEN1 (0.37) FOLH1PGK1PGK2
SCHEMBL20788567 0.75 HTT (0.32)
SCHEMBL2995889 0.75 PGK1 (0.37) FOLH1PGK1PGK2TYMSALDH1A1
SCHEMBL2991836 0.72 FOLH1 (0.39) FOLH1TYMSALDH1A1
SCHEMBL13274641 0.72 PGK1 (0.35) FOLH1PGK1PGK2TYMSALDH1A1
SCHEMBL2982459 0.70
SCHEMBL2990569 0.69 FDPS (0.46) FOLH1
SCHEMBL2989915 0.68 FOLH1 (0.36) FOLH1TYMSALDH1A1
SCHEMBL2988737 0.67 ALDH1A1 (0.41) FOLH1TYMSALDH1A1
SCHEMBL22431182 0.67

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-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US disclosed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-20100035147-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed