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 | |
|---|---|---|---|---|
| SCHEMBL16741919 | 0.87 | CHRM3 (0.30) | — | |
| SCHEMBL8844169 | 0.69 | HRH3 (0.32) | — | |
| SCHEMBL3715845 | 0.69 | SMARCA2 (0.30) | — | |
| SCHEMBL7848043 | 0.68 | BCHE (0.32) | — | |
| SCHEMBL10473761 | 0.61 | — | — | |
| SCHEMBL5816956 | 0.60 | — | — | |
| SCHEMBL12494103 | 0.60 | — | — | |
| SCHEMBL11518996 | 0.60 | — | — | |
| SCHEMBL10497364 | 0.60 | — | — | |
| SCHEMBL8023877 | 0.59 | — | — |
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-1102769-A2 | TRICYCLIC CARBOXAMIDES | SMITHKLINE BEECHAM PLC (GB) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000008020-A2 | TRICYCLIC CARBOXAMIDES | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-17 | — | — | WO | disclosed |