SCHEMBL5280233

SCHEMBL5280233

CCn1nnc(C(F)(F)C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.31

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
SCHEMBL5278570 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5278824 0.87 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5283639 0.85 SLC9A1 (0.33)
SCHEMBL5282471 0.83 SLC9A1 (0.36) ALDH1A1
SCHEMBL5281565 0.82 MAPT (0.35) ALDH1A1
SCHEMBL5279157 0.81 NPC1 (0.31)
SCHEMBL5276494 0.79 PKM (0.32) ALDH1A1
SCHEMBL5284247 0.78
SCHEMBL5283261 0.75
SCHEMBL5279898 0.75 ALDH1A1 (0.31) 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