SCHEMBL3739463

SCHEMBL3739463

CCC(O)(Cl)N1CC([N+](=O)[O-])([N+](=O)[O-])C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL1994684 0.70 CRHBP (0.63) CRHBPCRHR2ALDH1A1
Nitric Acid SCHEMBL8647053 0.69 CRHBP (0.57) CRHBPCRHR2ALDH1A1
Hydrochloric Acid SCHEMBL9247859 0.69 CRHBP (0.61) CRHBPCRHR2ALDH1A1
SCHEMBL3476909 0.66 CRHBP (0.38) CRHBPCRHR2
SCHEMBL17484752 0.66 ALDH1A1 (0.41) CRHBPCRHR2ALDH1A1
SCHEMBL6365346 0.64 ALDH1A1 (0.52) ALDH1A1
Trifluoroacetic Acid SCHEMBL9251412 0.63 CRHBP (0.49) CRHBPCRHR2ALDH1A1
SCHEMBL9921596 0.62 GAA (0.38) CRHBPCRHR2ALDH1A1
SCHEMBL6366107 0.62 APEX1 (0.36) ALDH1A1
SCHEMBL5598058 0.61

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-7829729-B2 1-glycidyl-3,3-dinitroazetidine containing explosive moiety and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2010-11-09 US claimed
US-20090299079-A1 1-GLYCIDYL-3,3-DINITROAZETIDINE CONTAINING EXPLOSIVE MOIETY AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2009-12-03 US claimed
US-7829729-B2 1-glycidyl-3,3-dinitroazetidine containing explosive moiety and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2010-11-09 US disclosed
US-20090299079-A1 1-GLYCIDYL-3,3-DINITROAZETIDINE CONTAINING EXPLOSIVE MOIETY AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2009-12-03 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-20090299079-A1 1-GLYCIDYL-3,3-DINITROAZETIDINE CONTAINING EXPLOSIVE MOIETY AND PREPARATION METHOD THEREOF DNMT1, DNMT3A, HBZ CRHBP 3060/4885CRHR2 4140/4885ALDH1A1 463/4885

“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.