SCHEMBL4961745

SCHEMBL4961745

CNC(CCO[N+](=O)[O-])O[N+](=O)OC(CCO[N+](=O)[O-])NC

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL23849352 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL220688 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL287823 0.69
SCHEMBL11649021 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL7572619 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4420455 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11058855 0.67 TSHR (0.34) ALDH1A1
SCHEMBL18243623 0.66
SCHEMBL10489572 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3863882 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899295-A2 PROSTAGLANDIN DERIVATIVES Pfizer, Inc. (US) 2008-03-19 EP disclosed
WO-2007000641-A2 PROSTAGLANDIN DERIVATIVES PFIZER INC. (US) 2007-01-04 WO disclosed