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 | |
|---|---|---|---|---|
| SCHEMBL695886 | 0.98 | — | — | |
| SCHEMBL14691145 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL7971687 | 0.95 | CES2 (0.50) | — | |
| Bromide SCHEMBL30114872 | 0.95 | — | — | |
| Fluoride SCHEMBL30114826 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL497550 | 0.95 | — | — | |
| Thiophene SCHEMBL7671042 | 0.89 | CES2 (0.45) | — | |
| Fumaric Acid SCHEMBL6961202 | 0.82 | DAO (0.52) | — | |
| Trifluoroacetic Acid SCHEMBL5223817 | 0.81 | DAO (0.50) | — | |
| SCHEMBL15818574 | 0.77 | CES2 (0.56) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117737862-A | Photoelectric functional crystal, preparation method thereof and photoelectric detection device | 季华实验室 | 2024-03-22 | — | — | CN | claimed |
| CN-115440891-A | Perovskite base solar cell | 南开大学 | 2022-12-06 | — | — | CN | claimed |
| CN-115172611-A | Method for surface passivation of perovskite thin film in high-efficiency solar cell | 合肥工业大学 | 2022-10-11 | — | — | CN | claimed |
| CN-117737862-A | Photoelectric functional crystal, preparation method thereof and photoelectric detection device | 季华实验室 | 2024-03-22 | — | — | CN | disclosed |
| CN-115440891-A | Perovskite base solar cell | 南开大学 | 2022-12-06 | — | — | CN | disclosed |
| CN-115172611-A | Method for surface passivation of perovskite thin film in high-efficiency solar cell | 合肥工业大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-115172611-A | Method for surface passivation of perovskite thin film in high-efficiency solar cell | 合肥工业大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-109713133-B | Organic-inorganic mixed perovskite compound, preparation method and application thereof | 南开大学 | 2022-05-10 | — | — | CN | disclosed |
| EP-0713483-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | Astra Aktiebolag (SE) | 1996-05-29 | — | — | EP | disclosed |