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 | |
|---|---|---|---|---|
| SCHEMBL6250482 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL152210 | 0.93 | — | — | |
| SCHEMBL3820394 | 0.72 | NOS3 (0.33) | — | |
| SCHEMBL16211600 | 0.72 | — | — | |
| SCHEMBL13140708 | 0.71 | — | — | |
| SCHEMBL21454652 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9547112 | 0.65 | — | — | |
| SCHEMBL12019020 | 0.65 | SPHK2 (0.36) | — | |
| SCHEMBL935269 | 0.65 | — | — | |
| SCHEMBL11955478 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2096111-A1 | PYRAZOLES AND USE THEREOF AS DRUGS | Japan Tobacco Inc. (JP) | 2009-09-02 | — | — | EP | disclosed |
| US-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | JAPAN TOBACCO, INC. (JP) | 2009-02-05 | — | — | US | disclosed |