Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. 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 | |
|---|---|---|---|---|
| SCHEMBL170103 | 0.94 | — | — | |
| SCHEMBL1796257 | 0.94 | — | — | |
| Water SCHEMBL15334116 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL2253702 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28223370 | 0.89 | — | — | |
| SCHEMBL18056719 | 0.67 | — | — | |
| SCHEMBL4924329 | 0.67 | — | — | |
| SCHEMBL2620819 | 0.63 | — | — | |
| SCHEMBL2755007 | 0.63 | — | — | |
| SCHEMBL14536618 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112851681-A | 7, 8-dinitropyrazole [1,5-a ] [1,3,5] triazine-2, 4-diamine and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2021-05-28 | — | — | CN | claimed |
| CN-104355300-B | The preparation method of amino fullerene derivate | 西南科技大学 | 2016-08-17 | — | — | CN | claimed |
| CN-112851681-A | 7, 8-dinitropyrazole [1,5-a ] [1,3,5] triazine-2, 4-diamine and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2021-05-28 | — | — | CN | disclosed |
| CN-104355300-B | The preparation method of amino fullerene derivate | 西南科技大学 | 2016-08-17 | — | — | CN | disclosed |