SCHEMBL3280943

SCHEMBL3280943

C=CC(=O)OCCOP(=O)(O)CCOC(=O)C=C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 4/20 0.53
TP53 P04637 3/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP3A4 P08684 2/20 0.48
HPGD P15428 1/20 0.44
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL17489003 0.93 TSHR (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL978217 0.86 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3278680 0.86 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28146683 0.84 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1068090 0.82 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL40905 0.82 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
Phosphoric Acid SCHEMBL6886898 0.82 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28125077 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21102734 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3278847 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10

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
EP-1799741-B1 RADIATION CURABLE POWDER COATING COMPOSITIONS CYTEC SURFACE SPECIALTIES SA (BE) 2012-08-15 EP disclosed
US-7695773-B2 Radiation curable powder coating compositions CYTEC SURFACE SPECIALTIES, S.A. (BE) 2010-04-13 US disclosed
US-20080206480-A1 Radiation Curable Powder Coating Compositions ALLNEX BELGIUM S.A. (BE) 2008-08-28 US disclosed
EP-1645583-A1 Radiation curable powder coating compositions CYTEC SURFACE SPECIALTIES, S.A. (BE) 2006-04-12 EP disclosed