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 SCHEMBL8329563 | 1.00 | — | — | |
| Iodide SCHEMBL5897630 | 0.96 | — | — | |
| SCHEMBL29761 | 0.96 | — | — | |
| SCHEMBL672984 | 0.96 | — | — | |
| SCHEMBL11127109 | 0.96 | TSHR (0.50) | — | |
| SCHEMBL10482149 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL135075 | 0.92 | — | — | |
| SCHEMBL1127197 | 0.92 | — | — | |
| SCHEMBL10622467 | 0.92 | — | — | |
| SCHEMBL6372546 | 0.92 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119366284-A | Perovskite-based photovoltaic cell and preparation method thereof | 埃尼股份公司 | 2025-01-24 | — | — | CN | claimed |
| WO-2014002109-A1 | SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF | RALLIS INDIA LIMITED (IN) | 2014-01-03 | — | — | WO | claimed |
| CN-119366284-A | Perovskite-based photovoltaic cell and preparation method thereof | 埃尼股份公司 | 2025-01-24 | — | — | CN | disclosed |
| WO-2014002109-A1 | SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF | RALLIS INDIA LIMITED (IN) | 2014-01-03 | — | — | WO | disclosed |
| WO-2011136800-A1 | ORGANIC PHOTOVOLTAIC DEVICE WITH INTERFACIAL LAYER AND METHOD OF FABRICATING SAME | NORTHWESTERN UNIVERSITY (US) | 2011-11-03 | — | — | WO | disclosed |
| WO-2003071425-A2 | PROCESS FOR THE PREPARATION OF 1-(2,6,6-TRIMETHYL-2-CYCLOHEXENE-1-YL)-BUT-2-ENE-1-ONE | VEMULKAR, NAGARAJ, NARAYANSWAMY (IN) | 2003-08-28 | — | — | WO | disclosed |
| US-20030153790-A1 | Process for the preparation of 1-(2,6,6-trimethyl-2-cyclohexene-1-yl)-but-2-ene-1-one | VEMULKAR, RAVIKIRAN NAGARAJ (IN) | 2003-08-14 | — | — | US | disclosed |
| US-4148814-A | Process for preparing monohydrocarbyltin trihalides | PENNWALT CORPORATION (US) | 1979-04-10 | — | — | US | disclosed |