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 | |
|---|---|---|---|---|
| SCHEMBL12570752 | 0.97 | — | — | |
| SCHEMBL1105675 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1268655 | 0.94 | — | — | |
| SCHEMBL24425924 | 0.79 | — | — | |
| SCHEMBL13721403 | 0.77 | — | — | |
| SCHEMBL21912875 | 0.76 | — | — | |
| Iodide SCHEMBL27883109 | 0.72 | — | — | |
| SCHEMBL12388524 | 0.72 | — | — | |
| SCHEMBL23533887 | 0.71 | — | — | |
| Iodide SCHEMBL8374346 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109320503-B | Metal-free one-pot synthesis method of benzimidazole alkynylamine compounds | 怀化学院 | 2022-07-01 | — | — | CN | claimed |
| CN-109438510-B | Synthesis method of P-alkynyl phosphate compound | 怀化学院 | 2020-12-01 | — | — | CN | claimed |
| CN-118239935-A | Fluorescent probe capable of detecting viscosity environment response and preparation method thereof | 闽西职业技术学院 | 2024-06-25 | — | — | CN | disclosed |
| CN-109320503-B | Metal-free one-pot synthesis method of benzimidazole alkynylamine compounds | 怀化学院 | 2022-07-01 | — | — | CN | disclosed |
| CN-109438510-B | Synthesis method of P-alkynyl phosphate compound | 怀化学院 | 2020-12-01 | — | — | CN | disclosed |