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 | |
|---|---|---|---|---|
| SCHEMBL339 | 0.96 | — | — | |
| SCHEMBL27565622 | 0.96 | LOX (1.00) | — | |
| Hydrochloric Acid SCHEMBL2719729 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28186143 | 0.89 | — | — | |
| Benzene SCHEMBL8508613 | 0.86 | LOX (0.80) | — | |
| 1,2-Dichloroethane SCHEMBL29125660 | 0.83 | — | — | |
| Bicarbonate SCHEMBL909963 | 0.81 | — | — | |
| Bicarbonate SCHEMBL28678945 | 0.81 | KMT2A (0.73) | — | |
| Carbamic Acid SCHEMBL28684032 | 0.78 | — | — | |
| Oxalic Acid SCHEMBL11876639 | 0.78 | KMT2A (0.70) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105936824-A | Soil heavy metal activator and preparation method and application thereof | 深圳多元拓展环保科技有限公司 | 2016-09-14 | — | — | CN | claimed |