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 | |
|---|---|---|---|---|
| SCHEMBL28949843 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL168 | 0.97 | — | — | |
| Methane SCHEMBL27951828 | 0.94 | — | — | |
| Bromide SCHEMBL18613941 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28347299 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4023732 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4445175 | 0.94 | — | — | |
| Boric Acid SCHEMBL27915510 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL28827797 | 0.87 | ALDH1A1 (0.39) | — | |
| Bicarbonate SCHEMBL5521423 | 0.85 | ALDH1A1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008123821-A1 | 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS | ALBIREO AB (SE) | 2008-10-16 | — | — | WO | disclosed |