SCHEMBL7481663

SCHEMBL7481663

CCOCC(CC)OS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6214641 0.91 ALDH1A1 (0.40) ALDH1A1
SCHEMBL6229260 0.81 ALDH1A1 (0.48) ALDH1A1
SCHEMBL576285 0.80 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6496032 0.80 USP2 (0.39) ALDH1A1
SCHEMBL4662102 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL6213221 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL14779809 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL25486668 0.74 TSHR (0.42)
SCHEMBL25203219 0.73 ALDH1A1 (0.40) ALDH1A1
SCHEMBL15125809 0.73 ALDH1A1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935601-A4 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARM CO (US) 2002-08-07 EP disclosed
EP-0935601-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-08-18 EP disclosed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO disclosed