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 | |
|---|---|---|---|---|
| SCHEMBL803119 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL18848 | 0.92 | — | — | |
| Pimagedine SCHEMBL3818920 | 0.70 | — | — | |
| Iodide SCHEMBL19118626 | 0.70 | — | — | |
| SCHEMBL17750842 | 0.69 | — | — | |
| Acetamidine SCHEMBL19179840 | 0.67 | — | — | |
| SCHEMBL27574906 | 0.67 | — | — | |
| Iodide SCHEMBL10971627 | 0.67 | — | — | |
| Thiosemicarbazide SCHEMBL18890136 | 0.67 | — | — | |
| Pimagedine SCHEMBL28750814 | 0.67 | ALDH1A1 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4278673-A | Pharmacologically active compounds | ALLEN & HANBURYS LIMITED (GB) | 1981-07-14 | — | — | US | disclosed |