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 | |
|---|---|---|---|---|
| SCHEMBL4105241 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28486558 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL29067364 | 0.84 | ALDH1A1 (0.33) | — | |
| Sulfuric Acid SCHEMBL11561567 | 0.84 | KDM4E (0.44) | — | |
| SCHEMBL4108244 | 0.80 | MEN1 (0.33) | — | |
| SCHEMBL11427542 | 0.75 | — | — | |
| SCHEMBL17030094 | 0.75 | — | — | |
| SCHEMBL24703450 | 0.73 | NOS1 (0.33) | — | |
| SCHEMBL8820390 | 0.73 | — | — | |
| SCHEMBL4017364 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070232623-A1 | Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them | GUDMUNDSSON KRISTJAN | 2007-10-04 | — | — | US | disclosed |
| US-7247626-B2 | Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them | SMITHKLINE BEECHAM CORPORATION (US) | 2007-07-24 | — | — | US | disclosed |
| EP-1485385-B1 | PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BEECHAM CORP (US) | 2005-08-17 | — | — | EP | disclosed |
| US-20050124616-A1 | Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them | SMITHKLINE BEECHAM CORPORATION | 2005-06-09 | — | — | US | disclosed |
| EP-1485385-A1 | PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SmithKline Beecham Corporation (US) | 2004-12-15 | — | — | EP | disclosed |
| WO-2003076441-A1 | PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BEECHAM CORPORATION (US) | 2003-09-18 | — | — | WO | disclosed |