SCHEMBL8604331

SCHEMBL8604331

CC(COC(OCC(C)([N+](=O)[O-])[N+](=O)[O-])(OCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL11110082 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10799907 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8604968 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8606855 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8605793 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10796817 0.82
SCHEMBL10802377 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8604812 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8604818 0.80
SCHEMBL8605541 0.80 ALDH1A1 (0.32) 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
US-5783732-A 2:2 mixed Fluoro-, and fluoronitroalkyl orthocarbonates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1998-07-21 US disclosed