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 SCHEMBL10746723 | 1.00 | — | — | |
| SCHEMBL4278728 | 0.97 | — | — | |
| SCHEMBL10742570 | 0.97 | — | — | |
| SCHEMBL17050366 | 0.97 | — | — | |
| SCHEMBL6626432 | 0.69 | DGAT1 (0.31) | — | |
| SCHEMBL6626430 | 0.69 | DGAT1 (0.31) | — | |
| SCHEMBL6629906 | 0.69 | — | — | |
| SCHEMBL16131386 | 0.69 | — | — | |
| SCHEMBL6629903 | 0.69 | — | — | |
| SCHEMBL12977851 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4709032-A | VASODILATION AND HYPOTENSIVE AGENT | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1987-11-24 | — | — | US | disclosed |
| US-4634770-A | VASODILATORS, HYPOTENSIVES | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1987-01-06 | — | — | US | disclosed |
| EP-0109023-A1 | Isoquinolinesulfonamide derivatives and process for the preparation thereof | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1984-05-23 | — | — | EP | disclosed |