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 | |
|---|---|---|---|---|
| SCHEMBL7053928 | 0.96 | — | — | |
| Bromide SCHEMBL28667693 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28658437 | 0.92 | — | — | |
| SCHEMBL295853 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL19922518 | 0.79 | — | — | |
| Sulfuric Acid SCHEMBL28672831 | 0.78 | CA5A (0.33) | — | |
| SCHEMBL18054741 | 0.76 | — | — | |
| Iodide SCHEMBL7118709 | 0.74 | — | — | |
| SCHEMBL14536485 | 0.72 | EPHX1 (0.43) | — | |
| SCHEMBL13634251 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113563255-B | Preparation method of remifloxacin intermediate | 成都倍特药业股份有限公司 | 2023-08-18 | — | — | CN | claimed |
| CN-113563255-A | Preparation method of Rifloxacin intermediate | 成都倍特药业股份有限公司 | 2021-10-29 | — | — | CN | claimed |
| CN-113563255-B | Preparation method of remifloxacin intermediate | 成都倍特药业股份有限公司 | 2023-08-18 | — | — | CN | disclosed |
| CN-113563255-A | Preparation method of Rifloxacin intermediate | 成都倍特药业股份有限公司 | 2021-10-29 | — | — | CN | disclosed |