SCHEMBL2006086

SCHEMBL2006086

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
Nitric Acid SCHEMBL1979549 0.87 ALDH1A1 (0.35) KDM4EALDH1A1
Nitric Acid SCHEMBL2006085 0.87 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL19621802 0.76 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL1993585 0.73 GSR (0.39) KDM4EALDH1A1
SCHEMBL28086990 0.69 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL10935741 0.69 TSHR (0.46) KDM4EALDH1A1
SCHEMBL12060277 0.68 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL1554934 0.67 ALDH1A1 (0.39) KDM4EALDH1A1
SCHEMBL38660120 0.66 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL10899437 0.66

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348073-A1 Use of diamino-alcohol compouds in high solids mineral slurries Dow Global Technologies LLC (US) 2011-07-27 EP disclosed
EP-2341093-A1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins Dow Global Technologies LLC (US) 2011-07-06 EP disclosed
EP-2338872-A2 Diamino-alcohol compounds and processes for their manufacture Dow Global Technologies LLC (US) 2011-06-29 EP disclosed
EP-2338941-A1 Novel diamino-alcohol compounds, their manufacture and use in coatings applications Dow Global Technologies LLC (US) 2011-06-29 EP disclosed
US-20110147649-A1 Novel diamino-alcohol compounds, their manufacture and use in high solids mineral slurries ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152574-A1 Novel diamino-alcohol compounds and processes for their manufacture ADVANCION CORPORATION 2011-06-23 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-20110152574-A1 Novel diamino-alcohol compounds and processes for their manufacture ADH1A, ADH1C, ADH5 KDM4E 542/4885ALDH1A1 16/4885

“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.