SCHEMBL9444037

SCHEMBL9444037

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL9444042 1.00 ALDH1A1 (0.33) ALDH1A1TDP1CA5ACA5B
SCHEMBL9485759 0.83
SCHEMBL10337286 0.76 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL9480705 0.72
SCHEMBL4113336 0.69 TSHR (0.40) ALDH1A1
SCHEMBL603996 0.69 ALDH1A1 (0.41) ALDH1A1TDP1CA5ACA5B
SCHEMBL5943456 0.67
SCHEMBL11244779 0.67 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10337158 0.67 ALDH1A1 (0.39) ALDH1A1TDP1CA5ACA5B
Nitric Acid SCHEMBL23493543 0.65 CA5A (0.42) ALDH1A1TDP1CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250730-A Process for producing hydroxy terminated nitramines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-10-05 US claimed
US-5266675-A Energetic polymer THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-11-30 US disclosed
US-5250730-A Process for producing hydroxy terminated nitramines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-10-05 US disclosed
US-5250730-A Process for producing hydroxy terminated nitramines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-10-05 US disclosed