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 | |
|---|---|---|---|---|
| SCHEMBL1378257 | 0.97 | — | — | |
| SCHEMBL1378256 | 0.97 | — | — | |
| SCHEMBL11661340 | 0.72 | — | — | |
| SCHEMBL7927970 | 0.67 | — | — | |
| SCHEMBL9908379 | 0.65 | — | — | |
| SCHEMBL8982115 | 0.65 | — | — | |
| SCHEMBL10914607 | 0.65 | — | — | |
| SCHEMBL18499310 | 0.62 | — | — | |
| SCHEMBL2377867 | 0.62 | — | — | |
| SCHEMBL13312973 | 0.59 | — | — |
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-4436904-A | ANTIBIOTICS, BACTERICIDES | KANTO ISHI PHARMACEUTICAL CO., LTD. (JP) | 1984-03-13 | — | — | US | disclosed |
| US-4172941-A | ANTIBIOTICS | RICHARDSON-MERRELL INC. (US) | 1979-10-30 | — | — | US | disclosed |
| US-4131683-A | ANTICHOLESTEROL, ANTIINFLAMMATORY, ANTIBIOTIC INTERMEDIATES | RICHARDSON-MERRELL INC. (US) | 1978-12-26 | — | — | US | disclosed |