SCHEMBL9470796

SCHEMBL9470796

O=[N+]([O-])OC[C@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GSR P00390 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
SCHEMBL10952793 1.00 GSR (0.33) GSR
SCHEMBL29085542 0.89 GSR (0.32) GSR
Erythrityl Tetranitrate SCHEMBL1269391 0.86 GSR (0.36) GSR
Mannitol Hexanitrate SCHEMBL220255 0.86 ALDH1A1 (0.36)
Mannitol Hexanitrate SCHEMBL57515 0.86 ALDH1A1 (0.36)
SCHEMBL16541089 0.82 ALDH1A1 (0.36)
SCHEMBL11021827 0.81 LMNA (0.38) GSR
SCHEMBL28671436 0.81 ALDH1A1 (0.30)
SCHEMBL21493267 0.78 GSR (0.38) GSR
SCHEMBL2957599 0.78 GSR (0.38) GSR

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-5205983-A Mixture of sorbitol polynitrates and polyolpolynitrates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-04-27 US claimed
WO-2017211934-A1 BIOCONTROLLED FERTILISER NUBIOTRIENT IVS (DK) 2017-12-14 WO disclosed
US-5205983-A Mixture of sorbitol polynitrates and polyolpolynitrates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-04-27 US disclosed