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 | |
|---|---|---|---|---|
| Iodide SCHEMBL379644 | 1.00 | — | — | |
| SCHEMBL623161 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL4231892 | 0.96 | — | — | |
| SCHEMBL31207553 | 0.90 | — | — | |
| Iodide SCHEMBL1226177 | 0.88 | HTT (0.35) | — | |
| SCHEMBL16701174 | 0.87 | — | — | |
| Iodide SCHEMBL6010405 | 0.86 | HTT (0.41) | — | |
| Acetic Acid SCHEMBL28811867 | 0.85 | — | — | |
| SCHEMBL16700934 | 0.85 | — | — | |
| SCHEMBL329178 | 0.85 | HTT (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060021647-A1 | Molecular photovoltaics, method of manufacture and articles derived therefrom | SABIC INNOVATIVE PLASTICS IP B.V. | 2006-02-02 | — | — | US | claimed |
| EP-1752497-A2 | Organic dye compositions and use thereof in photovoltaic cells | GENERAL ELECTRIC COMPANY (US) | 2007-02-14 | — | — | EP | disclosed |
| US-20070028961-A1 | Organic dye compositions and use thereof in photovoltaic cells | GENERAL ELECTRIC COMPANY | 2007-02-08 | — | — | US | disclosed |