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 | |
|---|---|---|---|---|
| SCHEMBL2902826 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL2266459 | 0.93 | — | — | |
| SCHEMBL3113482 | 0.85 | ALDH1A1 (0.32) | — | |
| Thiocyanic Acid SCHEMBL5096236 | 0.81 | — | — | |
| SCHEMBL17514043 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL5099958 | 0.79 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5102952 | 0.72 | — | — | |
| SCHEMBL9344784 | 0.63 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9344372 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL5322556 | 0.60 | — | — |
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-0949226-B1 | Process for the preparation of acetylene derivatives | MITSUI CHEMICALS INC (JP) | 2002-07-17 | — | — | EP | disclosed |
| US-6127583-A | Process for preparing acetylene derivative from a ketone compound | MITSUI CHEMICALS, INC. (JP) | 2000-10-03 | — | — | US | disclosed |
| EP-0949226-A1 | Process for the preparation of acetylene derivatives | Mitsui Chemicals, Inc. (JP) | 1999-10-13 | — | — | EP | disclosed |