SCHEMBL6203605

SCHEMBL6203605

CC(C)COC(=O)CCC(=C(F)F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
EPHX2 P34913 1/20 0.32
MAPK1 P28482 1/20 0.32
NR1H3 Q13133 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LPAR1 Q92633 2/20 0.31
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
ATM Q13315 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
SCHEMBL6203445 0.84 TSHR (0.36) TSHRGAAPOLBTDP1L3MBTL1
SCHEMBL334176 0.79 TSHR (0.50) TSHRMAPTGAAPOLBTDP1
SCHEMBL6202776 0.77 TSHR (0.44) TSHRMAPTGAAPOLBTDP1
SCHEMBL30529014 0.77 TSHR (0.48) TSHRMAPTGAAPOLBTDP1
SCHEMBL27561555 0.77 TSHR (0.48) TSHRMAPTGAAPOLBTDP1
SCHEMBL1014097 0.71 TSHR (0.43) TSHRMAPTGAAPOLBTDP1
SCHEMBL1533356 0.71 TSHR (0.48) TSHRMAPTGAAPOLBTDP1
SCHEMBL3944331 0.71 TSHR (0.59) TSHRMAPTGAAPOLBTDP1
SCHEMBL846984 0.71 EGLN1 (0.45) TSHRMAPTGAAPOLBTDP1
SCHEMBL27827275 0.71 CYP1A2 (0.48) TSHRMAPTGAAPOLBTDP1

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