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 | |
|---|---|---|---|---|
| Iodide SCHEMBL146519 | 1.00 | — | — | |
| Iodide SCHEMBL10587441 | 1.00 | — | — | |
| Iodide SCHEMBL9131585 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28837172 | 0.82 | — | — | |
| Iodide SCHEMBL27529420 | 0.82 | — | — | |
| Iodide SCHEMBL29015833 | 0.82 | — | — | |
| Iodide SCHEMBL28890866 | 0.82 | — | — | |
| Iodide SCHEMBL42205 | 0.71 | — | — | |
| Iodide SCHEMBL6053672 | 0.71 | — | — | |
| Iodide SCHEMBL5037302 | 0.71 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114920897-A | Two deuterated polymers and preparation method thereof | 北京绮一舟新材料技术有限公司 | 2022-08-19 | — | — | CN | claimed |
| CN-113354513-A | Alpha, alpha-dideuterobenzyl alcohol compound, deuterated drug and reduction deuteration method of benzoate compound | 天津海一科技有限公司 | 2021-09-07 | — | — | CN | claimed |
| CN-113292393-A | Method for synthesizing alpha, alpha-dideuterol and deuterated drugs by reducing and deuterating acyl fluoride compounds | 中国农业大学 | 2021-08-24 | — | — | CN | claimed |
| CN-113061077-A | Alpha, alpha-dideuteroalcohol compounds, deuterated drugs and preparation method thereof | 天津海一科技有限公司 | 2021-07-02 | — | — | CN | claimed |
| CN-112939732-A | Synthesis method of alpha-deuterated alcohol compound and deuterated drug | 中国农业大学 | 2021-06-11 | — | — | CN | claimed |
| CN-112851520-A | Alpha-deuterated amine compound, deuterated drug and preparation method thereof | 中国农业大学 | 2021-05-28 | — | — | CN | claimed |
| CN-112679312-A | Alpha, alpha-dideuterol compound and preparation method thereof | 天津海一科技有限公司 | 2021-04-20 | — | — | CN | claimed |
| CN-112430187-A | Alpha, beta-deuterated amine compound, deuterated drug and preparation method thereof | 天津海一科技有限公司 | 2021-03-02 | — | — | CN | claimed |
| CN-112279772-A | Alpha, alpha-dideuteroamine compound, deuterated drug and preparation method thereof | 天津海一科技有限公司 | 2021-01-29 | — | — | CN | claimed |
| CN-112279772-B | Alpha, alpha-dideuteronamine compound, deuterated medicament and preparation method thereof | 北京奇点势能科技有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-113061077-B | Alpha, alpha-dideuteroalcohol compounds, deuterated drugs and preparation method thereof | 北京奇点势能科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-112430187-B | Alpha, beta-deuterated amine compound, deuterated drug and preparation method thereof | 北京奇点势能科技有限公司 | 2023-01-17 | — | — | CN | disclosed |
| CN-112851520-B | Alpha-deuterated amine compound, deuterated drug and preparation method thereof | 中国农业大学 | 2022-11-15 | — | — | CN | disclosed |
| CN-114920897-A | Two deuterated polymers and preparation method thereof | 北京绮一舟新材料技术有限公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-112939732-A | Synthesis method of alpha-deuterated alcohol compound and deuterated drug | 中国农业大学 | 2021-06-11 | — | — | CN | disclosed |
| CN-112851520-A | Alpha-deuterated amine compound, deuterated drug and preparation method thereof | 中国农业大学 | 2021-05-28 | — | — | CN | disclosed |
| CN-112679312-A | Alpha, alpha-dideuterol compound and preparation method thereof | 天津海一科技有限公司 | 2021-04-20 | — | — | CN | disclosed |
| CN-112430187-A | Alpha, beta-deuterated amine compound, deuterated drug and preparation method thereof | 天津海一科技有限公司 | 2021-03-02 | — | — | CN | disclosed |
| CN-112279772-A | Alpha, alpha-dideuteroamine compound, deuterated drug and preparation method thereof | 天津海一科技有限公司 | 2021-01-29 | — | — | CN | disclosed |
| US-4890042-A | SODIUM IODIDE, CERIUM HALIDE, KRYPTON OR ARGON GAS MIXTURE | GENERAL ELECTRIC COMPANY (US) | 1989-12-26 | — | — | US | disclosed |