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 | |
|---|---|---|---|---|
| SCHEMBL27602657 | 0.91 | — | — | |
| SCHEMBL20653112 | 0.91 | — | — | |
| SCHEMBL20652993 | 0.91 | — | — | |
| SCHEMBL1309217 | 0.87 | ODC1 (0.38) | — | |
| SCHEMBL452809 | 0.86 | — | — | |
| SCHEMBL17680 | 0.86 | — | — | |
| SCHEMBL18100551 | 0.84 | — | — | |
| SCHEMBL1497995 | 0.83 | — | — | |
| SCHEMBL28460026 | 0.83 | DNM1 (0.40) | — | |
| SCHEMBL9837404 | 0.82 | — | — |
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-106268647-A | The magnetic Nano microsphere adsorption method of nicotine in a kind of Nicotiana tabacum L. | 复旦大学 | 2017-01-04 | — | — | CN | claimed |
| CN-106268647-A | The magnetic Nano microsphere adsorption method of nicotine in a kind of Nicotiana tabacum L. | 复旦大学 | 2017-01-04 | — | — | CN | disclosed |