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 SCHEMBL440459 | 1.00 | NFKB1 (0.40) | — | |
| Ethylenediamine SCHEMBL1450484 | 0.94 | NFKB1 (0.36) | — | |
| Ethylenediamine SCHEMBL7097461 | 0.94 | NFKB1 (0.36) | — | |
| Ethylenediamine SCHEMBL29504146 | 0.93 | NFKB1 (0.44) | — | |
| Ethylenediamine SCHEMBL8936550 | 0.86 | — | — | |
| Ethylenediamine SCHEMBL11586569 | 0.86 | — | — | |
| Ethylenediamine SCHEMBL11467285 | 0.86 | — | — | |
| Ethylenediamine SCHEMBL6664381 | 0.86 | — | — | |
| Ethylenediamine SCHEMBL5088800 | 0.86 | NFKB1 (0.40) | — | |
| Ethylenediamine SCHEMBL11467286 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1008557-A1 | HYDROTHERMAL ELECTOLYSIS METHOD AND APPARATUS | EBARA CORPORATION (JP) | 2000-06-14 | — | — | EP | disclosed |