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 | |
|---|---|---|---|---|
| SCHEMBL8965233 | 0.93 | — | — | |
| SCHEMBL27671 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL6414032 | 0.86 | — | — | |
| Bromide SCHEMBL8055331 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28888282 | 0.86 | — | — | |
| SCHEMBL9275448 | 0.86 | — | — | |
| Charcoal, Activated SCHEMBL6404245 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL26913 | 0.86 | — | — | |
| SCHEMBL22442403 | 0.86 | — | — | |
| SCHEMBL29104739 | 0.86 | — | — |
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-0998467-A1 | PREPARATION AND USE OF 2-METHYL-5-PHENYLISOXAZOLIDINE | ALBEMARLE CORPORATION (US) | 2000-05-10 | — | — | EP | claimed |
| WO-1999005129-A1 | PREPARATION AND USE OF 2-METHYL-5-PHENYLISOXAZOLIDINE | ALBEMARLE CORPORATION (US) | 1999-02-04 | — | — | WO | claimed |
| US-5760243-A | Preparation and use of 2-methyl-5-phenylisoxazolidine | ALBEMARLE CORPORATION (US) | 1998-06-02 | — | — | US | claimed |