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 | |
|---|---|---|---|---|
| SCHEMBL1460558 | 0.82 | LMNA (0.30) | — | |
| SCHEMBL31079618 | 0.81 | — | — | |
| SCHEMBL30403289 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL909561 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL18259617 | 0.70 | TSHR (0.33) | — | |
| Iodide SCHEMBL11050163 | 0.70 | FDPS (0.37) | — | |
| SCHEMBL30403031 | 0.70 | TSHR (0.40) | — | |
| Iodide SCHEMBL553390 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL16732296 | 0.69 | FDPS (0.34) | — | |
| Bromide SCHEMBL28120873 | 0.69 | TSHR (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0037580-B1 | PROCESS FOR THE SELECTIVE HOMOLOGATION OF METHANOL TO ETHANOL | UNION CARBIDE CORPORATION (US) | 1984-09-19 | — | — | EP | disclosed |
| EP-0037586-B1 | PROCESS FOR THE SELECTIVE HYDROFORMYLATION OF METHANOL TO ACETALDEHYDE | UNION CARBIDE CORPORATION (US) | 1984-03-14 | — | — | EP | disclosed |
| EP-0034374-B1 | SELECTIVE HOMOLOGATION OF ACETALS OR ETHERS TO MONOHYDRIC OR POLYHYDRIC ALCOHOLS | UNION CARBIDE CORPORATION (US) | 1983-08-03 | — | — | EP | disclosed |
| US-4337365-A | COBALT AND IODIDE CATALYST, HIGH TEMPERATURE, INERT ETHER SOLVENT | UNION CARBIDE CORPORATION (US) | 1982-06-29 | — | — | US | disclosed |
| EP-0037586-A1 | Process for the selective hydroformylation of methanol to acetaldehyde | UNION CARBIDE CORPORATION (US) | 1981-10-14 | — | — | EP | disclosed |
| EP-0037580-A1 | Process for the selective homologation of methanol to ethanol | UNION CARBIDE CORPORATION (US) | 1981-10-14 | — | — | EP | disclosed |
| EP-0034374-A1 | Selective homologation of acetals or ethers to monohydric or polyhydric alcohols | UNION CARBIDE CORPORATION (US) | 1981-08-26 | — | — | EP | disclosed |
| US-4277634-A | SYNERGISTIC COMBINATION OF COBALT CATALYST, IODINE PROMOTER, AND INERT SOLVENT | UNION CARBIDE CORPORATION (US) | 1981-07-07 | — | — | US | disclosed |