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 | |
|---|---|---|---|---|
| SCHEMBL35384 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL31054341 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL27414065 | 0.89 | — | — | |
| SCHEMBL20994128 | 0.89 | — | — | |
| SCHEMBL6269519 | 0.89 | — | — | |
| Iodide SCHEMBL30883306 | 0.76 | — | — | |
| Acetone SCHEMBL10861185 | 0.76 | LMNA (0.86) | — | |
| Acetone SCHEMBL9615396 | 0.76 | — | — | |
| SCHEMBL10328381 | 0.74 | — | — | |
| SCHEMBL1567373 | 0.74 | — | — |
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-0035860-B1 | PROCESS FOR PRODUCING ETHYLIDENE DIACETATE AND/OR ACETALDEHYDE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1984-03-14 | — | — | EP | disclosed |
| EP-0035860-A2 | Process for producing ethylidene diacetate and/or acetaldehyde | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1981-09-16 | — | — | EP | disclosed |