SCHEMBL5282209

SCHEMBL5282209

CC(C)(C)c1nn[nH]c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
PKM P14618 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
SCHEMBL5277233 0.80 ABCC8 (0.32) ALDH1A1
SCHEMBL5276262 0.80
SCHEMBL5276536 0.77
SCHEMBL5282943 0.77
SCHEMBL5276469 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5281912 0.72
SCHEMBL2890302 0.72
SCHEMBL2888790 0.70
SCHEMBL5321218 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5278977 0.68

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