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 | |
|---|---|---|---|---|
| SCHEMBL496215 | 0.97 | — | — | |
| Acetic Acid SCHEMBL9380762 | 0.85 | FBP1 (0.50) | — | |
| SCHEMBL11445382 | 0.78 | — | — | |
| SCHEMBL27767524 | 0.77 | — | — | |
| SCHEMBL191350 | 0.76 | FBP1 (1.00) | — | |
| SCHEMBL7114230 | 0.76 | FBP1 (0.70) | — | |
| SCHEMBL940049 | 0.72 | — | — | |
| SCHEMBL9687296 | 0.72 | — | — | |
| SCHEMBL3069276 | 0.72 | — | — | |
| SCHEMBL10762231 | 0.72 | — | — |
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-2010052670-A1 | PROCESS TO PREPARE NEW SUBSTITUTED 1H-BENZO [d] IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS | UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) | 2010-05-14 | — | — | WO | disclosed |