SCHEMBL12880239

SCHEMBL12880239

O=[N+]([O-])OCC(O)COP

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2728056 0.89 ALDH1A1 (0.42) ALDH1A1
SCHEMBL12880243 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10911878 0.77
SCHEMBL9420277 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL62389 0.77
SCHEMBL15668736 0.76
SCHEMBL11580369 0.76
Nitric Acid SCHEMBL44182 0.74 CA5A (0.35) ALDH1A1
Ethylene SCHEMBL11768572 0.74 ALDH1A1 (0.34) ALDH1A1
Nitric Acid SCHEMBL7262025 0.74 CA5A (0.35) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7880023-B2 reacting 1,2,4-butanetriol with nitric acid to obtain 1,4-dinitrato-2-butanol; and treating the 1,4-dinitrato-2-butanol with sodium hydroxide to obtain 2-nitratoethyl oxirane; polymerizing 2-nitroethyl oxirane end product with butanediol/1,4-/ to form poly(2-nitroethyl exirane) Agency for Defense Development A Non Profit Korean Organization (KR) 2011-02-01 US disclosed
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
US-20090275765-A1 2-Nitratoethyl Oxirane, Poly (2-Nitratoethyl Oxirane) And Preparation Method Thereof KIM JIN SEUK 2009-11-05 US disclosed
US-7427687-B2 Glycidyl dinitropropyl formal poly (glycidyl dinitropropyl formal) and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2008-09-23 US disclosed
US-20080194852-A1 2-Nitratoethyl oxirane, poly(2-nitratoethyl oxirane) and preparation method thereof KIM JIN SEUK 2008-08-14 US disclosed
US-20080039610-A1 Glycidyl Dinitropropyl Formal Poly (Glycidyl Dinitropropyl Formal) And Preparation Method Thereof KIM JIN S 2008-02-14 US disclosed
US-7208637-B2 Glycidyl dinitropropyl formal, poly(glycidyl dinitropropyl formal) and preparation method thereof AGENCY FOR DEFENCE A KOREAN NON-PROFIT ORG. (KR) 2007-04-24 US disclosed
US-20070056663-A1 GLYCIDYL DINITROPROPYL FORMAL, POLY(GLYCIDYL DINITROPROPYL FORMAL) AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT 2007-03-15 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 (5 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-20080194852-A1 2-Nitratoethyl oxirane, poly(2-nitratoethyl oxirane) and preparation method thereof OXGR1, OGDH, PGD ALDH1A1 825/4885
US-20090275765-A1 2-Nitratoethyl Oxirane, Poly (2-Nitratoethyl Oxirane) And Preparation Method Thereof OXGR1, OGDH, PGD ALDH1A1 825/4885
US-20080039610-A1 Glycidyl Dinitropropyl Formal Poly (Glycidyl Dinitropropyl Formal) And Preparation Method Thereof NOX4, NOX5, TLR4 ALDH1A1 2256/4885
US-20090299079-A1 1-GLYCIDYL-3,3-DINITROAZETIDINE CONTAINING EXPLOSIVE MOIETY AND PREPARATION METHOD THEREOF DNMT1, DNMT3A, HBZ ALDH1A1 463/4885
US-20070056663-A1 GLYCIDYL DINITROPROPYL FORMAL, POLY(GLYCIDYL DINITROPROPYL FORMAL) AND PREPARATION METHOD THEREOF NOX4, NOX5, PAM ALDH1A1 2068/4885

“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.