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 | |
|---|---|---|---|---|
| SCHEMBL4375030 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4169129 | 0.90 | — | — | |
| SCHEMBL29666334 | 0.90 | — | — | |
| SCHEMBL4991372 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL28045618 | 0.86 | — | — | |
| Iodide SCHEMBL27334788 | 0.70 | — | — | |
| SCHEMBL2616763 | 0.70 | — | — | |
| SCHEMBL10396611 | 0.70 | — | — | |
| SCHEMBL20008725 | 0.70 | — | — | |
| SCHEMBL7126052 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6774265-B2 | SALT FORMATION REACTION OF PHOSPHINE AND SECONDARY PHOSPHINE IN ALCOHOLIC SOLVENT | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2004-08-10 | — | — | US | disclosed |
| US-20040138504-A1 | BISPHOSPHONIUM SALT AND PROCESS FOR PRODUCING THE SAME | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2004-07-15 | — | — | US | disclosed |