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 | |
|---|---|---|---|---|
| SCHEMBL1608867 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL11613916 | 0.96 | — | — | |
| SCHEMBL157942 | 0.70 | — | — | |
| SCHEMBL857888 | 0.67 | — | — | |
| SCHEMBL1249288 | 0.64 | — | — | |
| SCHEMBL16690908 | 0.61 | — | — | |
| SCHEMBL5050144 | 0.61 | — | — | |
| SCHEMBL5050151 | 0.61 | — | — | |
| SCHEMBL11443027 | 0.60 | — | — | |
| SCHEMBL11298050 | 0.60 | — | — |
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-3936459-A | 1',4'-Dihydro-1-methyl-spiro [piperidine and pyrrolidine-2,3'(2'H)quinoline]-2'-one compounds | HOKURIKU PHARMACEUTICAL CO., LTD. (JA) | 1976-02-03 | — | — | US | disclosed |