SCHEMBL1980677

SCHEMBL1980677

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

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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 SCHEMBL2008287 0.96 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2008288 0.91 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1650676 0.81 ALDH1A1 (0.42) ALDH1A1
SCHEMBL18870454 0.78 ALDH1A1 (0.44) ALDH1A1
SCHEMBL2918544 0.76
SCHEMBL6338975 0.75 LMNA (0.40) ALDH1A1
SCHEMBL11038404 0.73 ALDH1A1 (0.50) ALDH1A1
Nitric Acid SCHEMBL7573471 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6341692 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3094284 0.72 ALDH1A1 (0.39) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518048-B1 Diamino-alcohol compounds and processes for their manufacture ANGUS CHEMICAL (US) 2017-11-22 EP disclosed
EP-2518048-B1 Diamino-alcohol compounds and processes for their manufacture ANGUS CHEMICAL (US) 2017-11-22 EP disclosed
US-8785532-B2 Diamino-alcohol compounds, their manufacture and use in coatings applications ANGUS CHEMICAL COMPANY 2014-07-22 US disclosed
US-8785532-B2 Diamino-alcohol compounds, their manufacture and use in coatings applications ANGUS CHEMICAL COMPANY 2014-07-22 US disclosed
US-8785532-B2 Diamino-alcohol compounds, their manufacture and use in coatings applications ANGUS CHEMICAL COMPANY 2014-07-22 US disclosed
EP-2341093-B1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-18 EP disclosed
EP-2341093-B1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-18 EP disclosed
US-8697915-B2 Diamino-alcohol compounds and processes for their manufacture ANGUS CHEMICAL COMPANY 2014-04-15 US disclosed
US-8552072-B2 Diamino-alcohol compounds, their manufacture and use in high solids mineral slurries DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-08 US disclosed
US-8552072-B2 Diamino-alcohol compounds, their manufacture and use in high solids mineral slurries DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-08 US disclosed
US-20110152407-A1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152407-A1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins ADVANCION CORPORATION 2011-06-23 US 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-20110147649-A1 Novel diamino-alcohol compounds, their manufacture and use in high solids mineral slurries ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152407-A1 Novel diamino-alcohol compounds, their manufacture and use in epoxy resins 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
US-20110152574-A1 Novel diamino-alcohol compounds and processes for their manufacture ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152401-A1 Novel diamino-alcohol compounds, their manufacture and use in coatings applications ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152401-A1 Novel diamino-alcohol compounds, their manufacture and use in coatings applications ADVANCION CORPORATION 2011-06-23 US disclosed
US-20110152401-A1 Novel diamino-alcohol compounds, their manufacture and use in coatings applications 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 ALDH1A1 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.