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 | |
|---|---|---|---|---|
| SCHEMBL94280 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL3171903 | 0.93 | — | — | |
| Iodide SCHEMBL315802 | 0.93 | — | — | |
| Bromide SCHEMBL6976660 | 0.93 | — | — | |
| SCHEMBL989810 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11702150 | 0.79 | — | — | |
| SCHEMBL2896154 | 0.79 | — | — | |
| Iodide SCHEMBL2418682 | 0.79 | — | — | |
| Iodide SCHEMBL2889536 | 0.77 | NISCH (0.39) | — | |
| Iodide SCHEMBL7327216 | 0.76 | NISCH (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7119207-B2 | Benzoamide piperidine containing compounds and related compounds | PFIZER INC (US) | 2006-10-10 | — | — | US | disclosed |
| US-20030087925-A1 | Benzoamide piperidine containing compounds and related compounds | PFIZER INC. | 2003-05-08 | — | — | US | disclosed |
| CN-1043575-A | IMPROVED ELECTROSTATIC MASTER FOR HIGH SPEED XEROPRINTING | DU PONT (US) | 1990-07-04 | — | — | CN | disclosed |
| EP-0373533-A2 | Improved electrostatic master for high speed xeroprinting | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-06-20 | — | — | EP | disclosed |