SCHEMBL715313

SCHEMBL715313

CC(C[O])(CO[N+](=O)[O-])CO[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL2220993 0.87 ALDH1A1 (0.62) ALDH1A1
SCHEMBL8277381 0.81 ALDH1A1 (0.54) ALDH1A1
SCHEMBL16541056 0.81 ALDH1A1 (0.54) ALDH1A1
SCHEMBL15868744 0.79 ALDH1A1 (0.52) ALDH1A1
SCHEMBL4649499 0.79 ALDH1A1 (0.52) ALDH1A1
SCHEMBL2116285 0.78 ALDH1A1 (0.56) ALDH1A1
SCHEMBL1922429 0.77 ALDH1A1 (0.50) ALDH1A1
SCHEMBL7759159 0.77
SCHEMBL9803543 0.77 ALDH1A1 (0.62) ALDH1A1
Nitric Acid SCHEMBL10587822 0.76 ALDH1A1 (0.48) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268959-B2 Suitable for binding high explosives, and may also be used as explosives in their own right; materials possess high energy density and are highly amenable to chemical modification thereby allowing for modification to the physical properties of the material; tacky and rubbery nature THE SECRETARY OF STATE FOR DEFENSE (GB) 2012-09-18 US claimed
US-20080108784-A1 Suitable for binding high explosives, and may also be used as explosives in their own right; materials possess high energy density and are highly amenable to chemical modification thereby allowing for modification to the physical properties of the material; tacky and rubbery nature DEFENSE, THE SECRETARY OF THE STATE FOR (GB) 2008-05-08 US claimed
US-8268959-B2 Suitable for binding high explosives, and may also be used as explosives in their own right; materials possess high energy density and are highly amenable to chemical modification thereby allowing for modification to the physical properties of the material; tacky and rubbery nature THE SECRETARY OF STATE FOR DEFENSE (GB) 2012-09-18 US disclosed
EP-2460842-A2 Novel energetic polyphosphazenes The Secretary of State For Defence (GB) 2012-06-06 EP disclosed
US-20120053356-A1 NOVEL ENERGETIC POLYPHOSPHAZENES THE SECRETARY OF STATE FOR DEFENSE (GB) 2012-03-01 US disclosed
EP-1960456-A1 NOVEL ENERGETIC POLYPHOSPHAZENES THE SECRETARY OF STATE FOR DEFENCE (GB) 2008-08-27 EP disclosed
US-20080108784-A1 Suitable for binding high explosives, and may also be used as explosives in their own right; materials possess high energy density and are highly amenable to chemical modification thereby allowing for modification to the physical properties of the material; tacky and rubbery nature DEFENSE, THE SECRETARY OF THE STATE FOR (GB) 2008-05-08 US disclosed
WO-2006032882-A1 NOVEL ENERGETIC POLYPHOSPHAZENES THE SECRETARY OF STATE FOR DEFENCE (GB) 2006-03-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053356-A1 NOVEL ENERGETIC POLYPHOSPHAZENES ACLY, PEBP1, DDX42 ALDH1A1 4205/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.