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 | |
|---|---|---|---|---|
| SCHEMBL1442558 | 0.97 | — | — | |
| SCHEMBL8250242 | 0.74 | — | — | |
| SCHEMBL27894237 | 0.72 | — | — | |
| SCHEMBL2193668 | 0.69 | — | — | |
| SCHEMBL977217 | 0.69 | — | — | |
| SCHEMBL29107002 | 0.65 | — | — | |
| SCHEMBL5425700 | 0.63 | CRBN (0.30) | — | |
| SCHEMBL15778886 | 0.63 | — | — | |
| SCHEMBL27450235 | 0.62 | — | — | |
| SCHEMBL8775644 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5554446-A | Coated material, the preparation of use thereof | CIBA-GEIGY CORPORATION (US) | 1996-09-10 | — | — | US | disclosed |
| US-5413860-A | Coated material, the preparation and use thereof | CIBA-GEIGY CORPORATION (US) | 1995-05-09 | — | — | US | disclosed |