SCHEMBL14213757

SCHEMBL14213757

COC(=O)OCCC(F)(F)C(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
MAPT P10636 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
SCHEMBL18168728 0.90 HTT (0.32) POLBGAAHTTTSHR
SCHEMBL25858081 0.82 ALDH1A1 (0.40) POLBGAALMNAALDH1A1MAPK1
SCHEMBL2893566 0.81 SLC13A3 (0.38) HTT
SCHEMBL25981463 0.80 HTT (0.33) POLBGAALMNAALDH1A1MAPK1
SCHEMBL18168620 0.79 LMNA (0.32) POLBLMNAALDH1A1HTTNPSR1
SCHEMBL25858091 0.79 HTT (0.31) HTT
SCHEMBL308783 0.79 POLB (0.45) POLBGAALMNAALDH1A1MAPK1
SCHEMBL4912181 0.79 CA1 (0.33)
SCHEMBL22103912 0.78 MEN1 (0.37) ALDH1A1HTTMEN1KMT2A
SCHEMBL14213758 0.78 ALDH1A1 (0.31) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329344-B2 Fluorinated, acyclic carbonate derivatives; electrolytic double layer capacitor; excellent flame retardance, low temperature characteristics, withstand voltage, high solubility of an electrolyte salt; excellent compatibility with a hydrocarbon solvent DAIKIN INDUSTRIES, LTD. (JP) 2012-12-11 US disclosed