SCHEMBL19902274

SCHEMBL19902274

O=[N+]([O-])OCC(COc1nnc(OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])nn1)(CO[N+](=O)[O-])CO[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64

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
SCHEMBL19902438 0.91 ALDH1A1 (0.53) ALDH1A1
SCHEMBL17482174 0.89 ALDH1A1 (0.50) ALDH1A1
SCHEMBL17482176 0.88 ALDH1A1 (0.64) ALDH1A1
SCHEMBL17482165 0.82 ALDH1A1 (0.43) ALDH1A1
SCHEMBL19902275 0.80 ALDH1A1 (0.41) ALDH1A1
Pentaerythritol Tetranitrate SCHEMBL920358 0.80 ALDH1A1 (1.00) ALDH1A1
Pentaerythritol Tetranitrate SCHEMBL37177 0.80 ALDH1A1 (1.00) ALDH1A1
SCHEMBL19902246 0.79 ALDH1A1 (0.40) ALDH1A1
SCHEMBL19902240 0.78 ALDH1A1 (0.39) ALDH1A1
Pentaerythritol Tetranitrate SCHEMBL5940085 0.78 ALDH1A1 (0.94) 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-10174064-B2 Photoactive energetic materials TRIAD NATIONAL SECURITY, LLC (US) 2019-01-08 US disclosed
US-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US 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-10174064-B2 Photoactive energetic materials NOX5, TRPM5, MT-ND5 ALDH1A1 706/4885

“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.