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 | |
|---|---|---|---|---|
| SCHEMBL61448 | 0.95 | — | — | |
| SCHEMBL1654385 | 0.72 | — | — | |
| SCHEMBL28719959 | 0.59 | — | — | |
| SCHEMBL2915548 | 0.57 | — | — | |
| Aziridine SCHEMBL28542225 | 0.52 | — | — | |
| SCHEMBL23619821 | 0.48 | — | — | |
| SCHEMBL1652731 | 0.48 | — | — | |
| Iodide SCHEMBL7118934 | 0.48 | HIF1A (0.86) | — | |
| Piperazine SCHEMBL28979492 | 0.48 | — | — | |
| Azetidine SCHEMBL27094899 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0655999-A1 | 1,2,4-DITHIAZOLIUM IODIDES AND THEIR USE AS PESTICIDES | BAYER AG (DE) | 1995-06-07 | — | — | EP | disclosed |
| WO-1994004517-A1 | 1,2,4-DITHIAZOLIUM IODIDES AND THEIR USE AS PESTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1994-03-03 | — | — | WO | disclosed |