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 | |
|---|---|---|---|---|
| SCHEMBL1106393 | 0.93 | — | — | |
| Iodide SCHEMBL7272878 | 0.57 | — | — | |
| Iodide SCHEMBL29066813 | 0.57 | — | — | |
| Iodide SCHEMBL5307299 | 0.57 | — | — | |
| Iodide SCHEMBL9341351 | 0.57 | — | — | |
| Iodide SCHEMBL29131271 | 0.57 | — | — | |
| SCHEMBL4360702 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL30959023 | 0.54 | — | — | |
| Iodide SCHEMBL28412160 | 0.54 | — | — | |
| SCHEMBL32688091 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060111553-A1 | Novel thrombin inhibitors, the preparation and use thereof | ABBOTT GMBH & CO. KG (DE) | 2006-05-25 | — | — | US | disclosed |
| US-20030004308-A1 | Novel thrombin inhibitors, the preparation and use thereof | BOHM HANS-JOACHIM (DE) | 2003-01-02 | — | — | US | disclosed |
| US-6455671-B1 | COMPOUND FOR USE IN THE TREATMENT OF THROMBOSIS | ABBOTT LABORATORIES | 2002-09-24 | — | — | US | disclosed |