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 | |
|---|---|---|---|---|
| SCHEMBL391 | 0.89 | — | — | |
| SCHEMBL31669643 | 0.80 | — | — | |
| Water SCHEMBL609480 | 0.80 | — | — | |
| Bromide SCHEMBL10339581 | 0.80 | — | — | |
| Fluoride SCHEMBL2801234 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL567492 | 0.80 | — | — | |
| SCHEMBL31355123 | 0.80 | — | — | |
| SCHEMBL10810632 | 0.80 | — | — | |
| SCHEMBL21596989 | 0.80 | — | — | |
| Water SCHEMBL2196363 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0650516-B1 | Arsine as moderator in the conversion of acetylene | EXXONMOBIL CHEM PATENTS INC (US) | 2002-10-30 | — | — | EP | disclosed |
| US-5463154-A | Hydrogenation to ethylene | EXXON CHEMICAL PATENTS INC. (US) | 1995-10-31 | — | — | US | disclosed |
| EP-0650516-A1 | ACETYLENE CONVERTER MODERATORS | EXXON CHEMICAL PATENTS INC. (US) | 1995-05-03 | — | — | EP | disclosed |
| WO-1993023499-A1 | ACETYLENE CONVERTER MODERATORS | EXXON CHEMICAL PATENTS INC. (US) | 1993-11-25 | — | — | WO | disclosed |