SCHEMBL14351306

SCHEMBL14351306

C=C(C)C(=O)OC(CO)(CC(O)CO)C(O)CO

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9895396 0.87
SCHEMBL150224 0.75 TSHR (0.41) TSHRALDH1A1
SCHEMBL29353255 0.73 TSHR (0.38) TSHRALDH1A1
SCHEMBL27780220 0.72 TSHR (0.33) TSHRALDH1A1
SCHEMBL27987630 0.71 TSHR (0.33) TSHR
SCHEMBL28321822 0.69 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL25759922 0.68 TSHR (0.34) TSHRALDH1A1
SCHEMBL29146088 0.67 LMNA (0.38) ALDH1A1
SCHEMBL18233423 0.66 TSHR (0.47) TSHRALDH1A1
Glycerin SCHEMBL3920132 0.66 ALDH1A1 (0.65) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130004718-A1 ACTIVE ENERGY RAY CURABLE RESIN COMPOSITION AND ARTICLE HAVING FINE CONCAVE-CONVEX STRUCTURE ON SURFACE MITSUBISHI CHEMICAL CORPORATION (JP) 2013-01-03 US disclosed