SCHEMBL9656289

SCHEMBL9656289

N=C(NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])N[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL1819959 0.72
SCHEMBL5276371 0.72 ALDH1A1 (0.44) ALDH1A1TP53
Hydrochloric Acid SCHEMBL7295055 0.72 NOS1 (0.35) ALDH1A1TP53
Hydrochloric Acid SCHEMBL27918592 0.71 LMNA (0.44) ALDH1A1TP53
SCHEMBL18528448 0.69 L3MBTL1 (0.34) ALDH1A1TP53
SCHEMBL25859824 0.69 ALDH1A1 (0.33) ALDH1A1TP53
SCHEMBL2161228 0.69 ALDH1A1 (0.37) ALDH1A1TP53
SCHEMBL11521606 0.69 ALDH1A1 (0.41) ALDH1A1TP53
SCHEMBL10481087 0.68 TSHR (0.32)
SCHEMBL10481081 0.68 LMNA (0.30)

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-5009728-A Amorphous and homogenous solutions of nitroaliphatic oxidizer and plasticized binder of thermoplastic elastomer having oleophilic and polar segments; rocket propellants; firearms THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-04-23 US claimed
US-5120479-A Melting thermoplastic elastomer, dissolving placticizer, adding nitroaliphatic oxidizer and casting THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-06-09 US disclosed
US-5009728-A Amorphous and homogenous solutions of nitroaliphatic oxidizer and plasticized binder of thermoplastic elastomer having oleophilic and polar segments; rocket propellants; firearms THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-04-23 US disclosed