SCHEMBL11244779

SCHEMBL11244779

O=[N+]([O-])OCN(CN(CN(CN(CO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL11807768 1.00 ALDH1A1 (0.37) ALDH1A1
SCHEMBL17463119 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9444050 0.70 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9444052 0.70 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2681712 0.68 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9444042 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9480705 0.67
SCHEMBL9444037 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9481822 0.67
SCHEMBL6124294 0.67 ALDH1A1 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4362583-A 1,9-Diazido-2,4,6,8-tetranitro-2,4,6,8-tetrazanonane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1982-12-07 US disclosed
US-4362583-A 1,9-Diazido-2,4,6,8-tetranitro-2,4,6,8-tetrazanonane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1982-12-07 US disclosed