SCHEMBL6573417

SCHEMBL6573417

CC(C(O)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL11045907 0.81 ALDH1A1 (0.35) ALDH1A1HPGDHIF1ACA5ACA5B
SCHEMBL9512718 0.81
SCHEMBL1980632 0.81
SCHEMBL8486814 0.79 ALDH1A1 (0.44) ALDH1A1HPGDHIF1ACA5ACA5B
SCHEMBL10549230 0.78
Water SCHEMBL19327173 0.77 ALDH1A1 (0.32) ALDH1A1HPGDHIF1ACA5ACA5B
SCHEMBL459446 0.77
SCHEMBL844187 0.76
SCHEMBL2286647 0.73 ALDH1A1 (0.39) ALDH1A1HPGDHIF1ACA5ACA5B
SCHEMBL1446238 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040237383-A1 Combustion modifiers for water-blended fuels LUBRIZOL CORPORATION, THE 2004-12-02 US claimed
EP-1408788-A1 COMBUSTION MODIFIERS FOR WATER-BLENDED FUELS THE LUBRIZOL CORPORATION (US) 2004-04-21 EP claimed
WO-2002068334-A1 COMBUSTION MODIFIERS FOR WATER-BLENDED FUELS THE LUBRIZOL CORPORATION (US) 2002-09-06 WO claimed