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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9321968 | 0.65 | — | — | |
| SCHEMBL14477929 | 0.57 | — | — | |
| SCHEMBL18676983 | 0.55 | NOS3 (0.30) | — | |
| SCHEMBL21698474 | 0.55 | — | — | |
| Iodide SCHEMBL28552434 | 0.54 | — | — | |
| SCHEMBL23895441 | 0.50 | — | — | |
| SCHEMBL6014437 | 0.48 | — | — | |
| SCHEMBL15780223 | 0.48 | — | — | |
| SCHEMBL15214971 | 0.48 | KDM4E (0.33) | — | |
| SCHEMBL13954737 | 0.48 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0434341-B1 | Diazine derivatives | ZENECA LTD (GB) | 1995-05-17 | — | — | EP | disclosed |
| EP-0422178-B1 | PYRIMIDINE DERIVATIVES | ZENECA LTD (GB) | 1994-10-05 | — | — | EP | disclosed |
| US-5252567-A | Cardiovascular disorders, sino-atrial node effects | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-12 | — | — | US | disclosed |
| US-5223505-A | PYRIMIDINE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-06-29 | — | — | US | disclosed |
| EP-0434341-A1 | Diazine derivatives | ZENECA LIMITED (GB) | 1991-06-26 | — | — | EP | disclosed |
| EP-0422178-A1 | PYRIMIDINE DERIVATIVES. | ICI PLC (GB) | 1991-04-17 | — | — | EP | disclosed |
| WO-1990012790-A1 | PYRIMIDINE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-11-01 | — | — | WO | disclosed |