SCHEMBL6202776

SCHEMBL6202776

C=C(CCC(=O)OCC(C)C)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.33
EPHX2 P34913 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H3 Q13133 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LPAR1 Q92633 2/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
KDM4E B2RXH2 1/20 0.30
DUSP3 P51452 1/20 0.30
MEN1 O00255 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
SCHEMBL6204609 0.84 TSHR (0.46) TSHRTDP1L3MBTL1MAPTGAA
SCHEMBL334176 0.80 TSHR (0.50) TSHRTDP1L3MBTL1MAPTGAA
SCHEMBL27561555 0.78 TSHR (0.48) TSHRTDP1L3MBTL1MAPTGAA
SCHEMBL30529014 0.78 TSHR (0.48) TSHRTDP1L3MBTL1MAPTGAA
SCHEMBL6203605 0.77 TSHR (0.35) TSHRTDP1L3MBTL1MAPTGAA
SCHEMBL27101920 0.77 TSHR (0.55) TSHRTDP1L3MBTL1MAPTGAA
SCHEMBL19302884 0.76 TSHR (0.48) TSHRTDP1L3MBTL1MAPTGAA
SCHEMBL8015066 0.74 TSHR (0.57) TSHRTDP1L3MBTL1MAPTGAA
SCHEMBL10401223 0.73 TSHR (0.55) TSHRTDP1L3MBTL1MAPTGAA
SCHEMBL1014097 0.72 TSHR (0.43) TSHRTDP1L3MBTL1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501877-A1 FLUORINATED POLYMERS Honeywell International Inc. (US) 2005-02-02 EP claimed
US-20040126695-A1 Fluorinated polymers HONEYWELL INTERNATIONAL, INC. 2004-07-01 US claimed
WO-2003095505-A1 FLUORINATED POLYMERS HONEYWELL INTERNATIONAL INC. (US) 2003-11-20 WO claimed
EP-1501877-A1 FLUORINATED POLYMERS Honeywell International Inc. (US) 2005-02-02 EP disclosed
US-20040126695-A1 Fluorinated polymers HONEYWELL INTERNATIONAL, INC. 2004-07-01 US disclosed
WO-2003095505-A1 FLUORINATED POLYMERS HONEYWELL INTERNATIONAL INC. (US) 2003-11-20 WO disclosed