SCHEMBL9760638

SCHEMBL9760638

CC(CCC(F)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL10717697 0.75 ALDH1A1 (0.46) ALDH1A1
SCHEMBL11565311 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11516366 0.70
SCHEMBL10799907 0.69 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11110082 0.69 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8604331 0.69 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11882014 0.68 LMNA (0.32) ALDH1A1
SCHEMBL1998822 0.68 ALDH1A1 (0.50) ALDH1A1
SCHEMBL11516390 0.68
SCHEMBL11515619 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988397-A Energetic binders for plastic bonded explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-01-29 US claimed
US-4453021-A Dinitropropyl fluorodinitroethyl formal plasticizer and method of preparation THE UNITED STATES OF AMERICAAS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1984-06-05 US claimed
US-4988397-A Energetic binders for plastic bonded explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-01-29 US disclosed
US-4988397-A Energetic binders for plastic bonded explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-01-29 US disclosed
US-4453021-A Dinitropropyl fluorodinitroethyl formal plasticizer and method of preparation THE UNITED STATES OF AMERICAAS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1984-06-05 US disclosed
US-4453021-A Dinitropropyl fluorodinitroethyl formal plasticizer and method of preparation THE UNITED STATES OF AMERICAAS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1984-06-05 US disclosed