SCHEMBL5281869

SCHEMBL5281869

CCCCCCN1N=CN(C(C)C)C1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5321653 0.94 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5275646 0.88
SCHEMBL5276995 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5276517 0.82
SCHEMBL5286177 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5277879 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5275092 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5274013 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5282970 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5276687 0.80 ALDH1A1 (0.33) 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 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