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 SCHEMBL11707738 | 1.00 | TSHR (0.64) | — | |
| SCHEMBL11704848 | 0.84 | TSHR (0.53) | — | |
| Hydrazine SCHEMBL27540638 | 0.81 | TSHR (0.82) | — | |
| Hydrazine SCHEMBL28126968 | 0.81 | — | — | |
| SCHEMBL9492341 | 0.80 | TSHR (1.00) | — | |
| Water SCHEMBL28118224 | 0.80 | TSHR (1.00) | — | |
| SCHEMBL14877 | 0.80 | — | — | |
| Water SCHEMBL27509838 | 0.80 | — | — | |
| SCHEMBL11709285 | 0.80 | ALDH1A1 (0.62) | — | |
| Hydroxyamine SCHEMBL8423525 | 0.77 | TSHR (0.75) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5236616-A | BLEACHING COMPOSITION | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1993-08-17 | — | — | US | disclosed |
| EP-0458396-A1 | Bleaching composition | UNILEVER N.V. (NL) | 1991-11-27 | — | — | EP | disclosed |