SCHEMBL6203445

SCHEMBL6203445

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
NR1H3 Q13133 1/20 0.33
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
POLB P06746 1/20 0.32
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
HPGD P15428 1/20 0.30
MMP8 P22894 1/20 0.30
EPHX2 P34913 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
SCHEMBL6203605 0.84 TSHR (0.35) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL20680194 0.79 TSHR (0.39) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL23097200 0.76 SMN1; SMN2 (0.41) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL6204609 0.76 TSHR (0.46) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL243431 0.76 TSHR (0.56) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL7101799 0.74 TSHR (0.38) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL28236036 0.72 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL27964667 0.72 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL23922190 0.71 TSHR (0.42) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL28881739 0.70 TSHR (0.47) TSHRALDH1A1TDP1L3MBTL1GAA

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