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 | |
|---|---|---|---|---|
| Adamantane SCHEMBL21192802 | 0.93 | CYP2C9 (0.43) | — | |
| SCHEMBL24236 | 0.91 | — | — | |
| Adamantane SCHEMBL28232364 | 0.87 | CYP2C9 (0.40) | — | |
| Hydrochloric Acid SCHEMBL30759508 | 0.83 | — | — | |
| Adamantane SCHEMBL29707714 | 0.83 | CYP2C9 (0.46) | — | |
| Adamantane SCHEMBL12761 | 0.83 | CYP2C9 (0.46) | — | |
| Adamantane SCHEMBL1527414 | 0.83 | CYP2C9 (0.46) | — | |
| Iodide SCHEMBL28478064 | 0.82 | — | — | |
| Adamantane SCHEMBL25252048 | 0.77 | CYP2C9 (0.43) | — | |
| Adamantane SCHEMBL21067465 | 0.77 | CYP2C9 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118955233-B | Synthesis method of monosubstituted bicyclo [1.1.1] pentane (BCP) | 康龙化成手性医药技术(宁波)有限公司 | 2025-05-06 | — | — | CN | disclosed |
| CN-118955233-A | Synthesis method of monosubstituted bicyclo [1.1.1] pentane (BCP) | 康龙化成手性医药技术(宁波)有限公司 | 2024-11-15 | — | — | CN | disclosed |