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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11276196 | 0.96 | — | — | |
| SCHEMBL27763866 | 0.84 | — | — | |
| Bromide SCHEMBL11278587 | 0.74 | — | — | |
| SCHEMBL11260643 | 0.73 | — | — | |
| SCHEMBL27785624 | 0.68 | — | — | |
| SCHEMBL1003396 | 0.67 | — | — | |
| SCHEMBL20610131 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL613409 | 0.66 | — | — | |
| SCHEMBL11233584 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL7905422 | 0.64 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4332612-A | N-METHYL-2-PYRROLIDONE AND A HALOALKYL SILANE | GAF CORPORATION (US) | 1982-06-01 | — | — | US | disclosed |