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 | |
|---|---|---|---|---|
| SCHEMBL307359 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL27469417 | 0.90 | — | — | |
| Bromide SCHEMBL11505136 | 0.90 | — | — | |
| SCHEMBL29183241 | 0.90 | — | — | |
| Water SCHEMBL1971739 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL526048 | 0.90 | — | — | |
| SCHEMBL28868193 | 0.90 | — | — | |
| Iodide SCHEMBL28177761 | 0.86 | — | — | |
| SCHEMBL28215351 | 0.79 | NOS1 (0.35) | — | |
| SCHEMBL28111942 | 0.79 | — | — |
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-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |
| EP-0518435-A1 | Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-12-16 | — | — | EP | disclosed |