Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Ethylenediamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL206845 | 1.00 | NFKB1 (0.44) | — | |
| Ethylenediamine SCHEMBL11163220 | 1.00 | NFKB1 (0.44) | — | |
| Ethylenediamine SCHEMBL1557999 | 1.00 | — | — | |
| Ethylenediamine SCHEMBL580102 | 1.00 | — | — | |
| Ethylenediamine SCHEMBL3505481 | 1.00 | — | — | |
| Ethylenediamine SCHEMBL11165159 | 1.00 | NFKB1 (0.44) | — | |
| Ethylenediamine SCHEMBL11158606 | 1.00 | NFKB1 (0.44) | — | |
| Ethylenediamine SCHEMBL2884523 | 0.93 | — | — | |
| Ethylenediamine SCHEMBL8718969 | 0.93 | NFKB1 (0.40) | — | |
| Ethylenediamine SCHEMBL7775525 | 0.93 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5814591-A | A COMBINATION OF A NONIONIC SURFACTANT AND A QUATERNARY AMMONIUM SURFACTANT WITH AN AMPHOTERIC SURFACTANT, A SOLVENT, TETRAAMMONIUM ETHYLENEDIAMINETETRAACETATE AND WATER | THE CLOROX COMPANY (US) | 1998-09-29 | — | — | US | claimed |
| EP-2188318-B1 | WATER-BASED TWO-COMPONENT COATING COMPOSITION | DU PONT (US) | 2012-10-24 | — | — | EP | disclosed |
| EP-2188318-A1 | WATER-BASED TWO-COMPONENT COATING COMPOSITION | E. I. du Pont de Nemours and Company (US) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009035915-A1 | WATER-BASED TWO-COMPONENT COATING COMPOSITION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-03-19 | — | — | WO | disclosed |
| WO-2003066790-A1 | AMINE OXIDES AS PERFUME SOLUBILITY AGENTS | THE PROCTER & GAMBLE COMPANY (US) | 2003-08-14 | — | — | WO | disclosed |