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 | |
|---|---|---|---|---|
| SCHEMBL2510404 | 0.92 | — | — | |
| SCHEMBL8838848 | 0.90 | — | — | |
| Glycine SCHEMBL27695883 | 0.82 | GLRA1 (0.42) | — | |
| Acetic Acid SCHEMBL2682620 | 0.81 | MEN1 (0.33) | — | |
| Acetic Acid SCHEMBL1982442 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL28229869 | 0.72 | — | — | |
| SCHEMBL28137874 | 0.72 | — | — | |
| SCHEMBL15418572 | 0.70 | — | — | |
| SCHEMBL7241698 | 0.68 | — | — | |
| SCHEMBL28068620 | 0.68 | FDPS (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105793370-B | Container coatings composition | PPG工业俄亥俄公司 | 2018-04-03 | — | — | CN | disclosed |
| CN-105793370-A | Container coating compositions | PPG工业俄亥俄公司 | 2016-07-20 | — | — | CN | disclosed |