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 | |
|---|---|---|---|---|
| SCHEMBL1334882 | 0.95 | — | — | |
| Fluoride Ion SCHEMBL963997 | 0.90 | — | — | |
| Bromide SCHEMBL2244871 | 0.90 | — | — | |
| Fluoride SCHEMBL6229645 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL29118970 | 0.90 | — | — | |
| Iodide SCHEMBL23794566 | 0.90 | ALDH1A1 (0.33) | — | |
| Iodide SCHEMBL2827484 | 0.90 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL691818 | 0.90 | — | — | |
| Fluoride SCHEMBL1263596 | 0.90 | — | — | |
| Fluoride Ion SCHEMBL131861 | 0.90 | ALDH1A1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109096149-B | Process for the preparation of beta-arylamines | 富兰克科技（深圳）股份有限公司 | 2021-02-26 | — | — | CN | claimed |
| CN-109096149-B | Process for the preparation of beta-arylamines | 富兰克科技（深圳）股份有限公司 | 2021-02-26 | — | — | CN | disclosed |
| US-20020041976-A1 | Novel compounds and their manufacture and use | ANDERSON SALLY (GB) | 2002-04-11 | — | — | US | disclosed |
| EP-1138713-A2 | Compounds and their manufacture and use | Sharp Kabushiki Kaisha (JP) | 2001-10-04 | — | — | EP | disclosed |
| US-4062892-A | Insecticidal, miticidal and lepidoptericidal active isothiuronium complex acids and free bases | STAUFFER CHEMICAL COMPANY (US) | 1977-12-13 | — | — | US | disclosed |
| US-3969511-A | Insecticidal, miticidal and lepidoptericidal active isothiuronium complex acids and free bases | STAUFFER CHEMICAL COMPANY (US) | 1976-07-13 | — | — | US | disclosed |