SCHEMBL5282564

SCHEMBL5282564

CCCCN1N=CN([N+](=O)[O-])C1CC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL5276255 0.94 PTGS1 (0.33) ALDH1A1
SCHEMBL5284860 0.90
SCHEMBL5274906 0.89 PKM (0.36) ALDH1A1
SCHEMBL5280820 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5276704 0.87
SCHEMBL5277036 0.85
SCHEMBL5275308 0.84 PKM (0.35) ALDH1A1
SCHEMBL5275321 0.84 PTGS1 (0.33) ALDH1A1
SCHEMBL5277869 0.83
SCHEMBL5275023 0.83 PKM (0.36)

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed