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 | |
|---|---|---|---|---|
| SCHEMBL3705233 | 0.97 | — | — | |
| SCHEMBL11675772 | 0.85 | CRBN (0.35) | — | |
| Iodide SCHEMBL11062984 | 0.77 | — | — | |
| SCHEMBL7440465 | 0.76 | — | — | |
| SCHEMBL14218 | 0.74 | — | — | |
| SCHEMBL8134500 | 0.72 | — | — | |
| SCHEMBL11675143 | 0.72 | — | — | |
| Iodide SCHEMBL9349939 | 0.70 | — | — | |
| SCHEMBL27390281 | 0.70 | — | — | |
| SCHEMBL11677321 | 0.70 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0208518-B1 | 6-PHENYL-PYRIDAZINYL COMPOUNDS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1991-09-11 | — | — | EP | disclosed |
| US-4946842-A | BRONCHODILATOR AGENTS; PHOSPHODIESTERASE INHIBITORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-08-07 | — | — | US | disclosed |
| EP-0208518-A2 | 6-Phenyl-pyridazinyl compounds | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1987-01-14 | — | — | EP | disclosed |
| US-4129657-A | Imidazole guanidines and use as inhibitors of histamine activity | SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-12-12 | — | — | US | disclosed |