SCHEMBL6009430

SCHEMBL6009430

CCCCOC(=O)OCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 5/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
ESR1 P03372 2/20 0.40
NAAA Q02083 1/20 0.39
CES2 O00748 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL21943245 0.94 PLA2G2C (0.48) ALDH1A1ATMTSHRHTTPLA2G2C
SCHEMBL608280 0.88 HTT (0.45) ALDH1A1ATMTSHRHTTPLA2G2C
SCHEMBL24030234 0.85 HTT (0.46) ALDH1A1TSHRHTTPLA2G2CNAAA
SCHEMBL6008045 0.84 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL22372422 0.83 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7080875 0.83 ALDH1A1 (0.39) ALDH1A1ATMTSHRHPGDHTT
SCHEMBL37837 0.82 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL22372420 0.82 HTT (0.43) HTTPLA2G2C
Trifluoroacetic Acid SCHEMBL28238146 0.82 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8691486 0.82 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984471-B2 Nonaqueous electrolyte and nonaqueous electrolyte battery SONY CORPORATION (JP) 2006-01-10 US disclosed
US-20030087160-A1 Nonaqueous electrolyte and nonaqueous electrolyte battery MURATA MANUFACTURING CO., LTD. (JP) 2003-05-08 US disclosed
EP-1278261-A1 Nonaqueous electrolyte and nonaqueous electrolyte battery SONY CORPORATION (JP) 2003-01-22 EP disclosed