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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7931458 | 0.85 | — | — | |
| Iodide SCHEMBL7930581 | 0.85 | — | — | |
| SCHEMBL7928032 | 0.84 | BCHE (0.30) | — | |
| Hydrochloric Acid SCHEMBL16424480 | 0.73 | CHRNB2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6445063 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6471198 | 0.69 | — | — | |
| Iodide SCHEMBL7921882 | 0.69 | GPR3 (0.30) | — | |
| SCHEMBL8459299 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6067445 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL18152940 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0946610-B1 | HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS | EXXONMOBIL CHEM PATENTS INC (US) | 2001-11-28 | — | — | EP | disclosed |
| EP-0946610-A1 | HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS | EXXON CHEMICAL PATENTS INC. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028350-A1 | HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS | EXXON CHEMICAL PATENTS INC. (US) | 1998-07-02 | — | — | WO | disclosed |