SCHEMBL9719157

SCHEMBL9719157

O=C(/C=C/C(=O)OCC(F)(F)C(F)F)OCC(F)(F)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL5945804 1.00 TSHR (0.39) TSHRPOLBGAAALDH1A1NPSR1
SCHEMBL5945800 1.00 TSHR (0.39) TSHRPOLBGAAALDH1A1NPSR1
SCHEMBL13386033 0.88 TSHR (0.33) TSHRPOLBGAAALDH1A1NPSR1
SCHEMBL517335 0.83 ALDH1A1 (0.52) TSHRPOLBGAAALDH1A1NPSR1
SCHEMBL308634 0.79 TSHR (0.41) TSHRPOLBGAAALDH1A1NPSR1
SCHEMBL13662454 0.77 TSHR (0.34) TSHRPOLBGAAALDH1A1NPSR1
SCHEMBL27220786 0.77 TSHR (0.41) TSHRPOLBGAAALDH1A1NPSR1
SCHEMBL25858052 0.77 HTT (0.43) TSHRPOLBGAAALDH1A1NPSR1
SCHEMBL308635 0.77 LMNA (0.43) TSHRPOLBGAAALDH1A1NPSR1
SCHEMBL581271 0.77 POLB (0.64) TSHRPOLBGAAALDH1A1NPSR1

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-4933406-A OXYGEN-PERMEABLE, RIGID NIPPON OIL AND FATS CO., LTD. (JP) 1990-06-12 US claimed
US-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-4933406-A OXYGEN-PERMEABLE, RIGID NIPPON OIL AND FATS CO., LTD. (JP) 1990-06-12 US disclosed
US-4868260-A OXYGEN PERMEABILITY TOMEI SANGYO KABUSHIKI KAISHA (JP) 1989-09-19 US disclosed