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 SCHEMBL7289870 | 0.84 | TMIGD3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7289916 | 0.78 | METAP1 (0.43) | — | |
| Iodide SCHEMBL7288456 | 0.77 | HTT (0.37) | — | |
| Hydrochloric Acid SCHEMBL7289011 | 0.67 | METAP1 (0.45) | — | |
| SCHEMBL7296944 | 0.67 | ITGB3 (0.33) | — | |
| SCHEMBL7299136 | 0.63 | TMIGD3 (0.32) | — | |
| SCHEMBL7293806 | 0.62 | ITGB3 (0.36) | — | |
| SCHEMBL7298799 | 0.62 | CA2 (0.45) | — | |
| SCHEMBL10447550 | 0.61 | ADRA1D (0.47) | — | |
| SCHEMBL7378157 | 0.60 | PDE3A (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0426018-B1 | Thiophene compounds and their pharmaceutical uses | YOSHITIOMI PHARMACEUTICAL IND (JP) | 1997-08-27 | — | — | EP | disclosed |
| EP-0729960-A1 | Thiophene compounds and their use as intermediates in the preparation of antianxiety drugs, hypnotics, antiepileptic drugs and nuotropics | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1996-09-04 | — | — | EP | disclosed |
| US-5329016-A | Antianxiety, hypnotic agents, antiepileptic agents or nootropics | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-07-12 | — | — | US | disclosed |
| US-5175162-A | Anxiolytic, antiepilepic agents | YOSHITIOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) | 1992-12-29 | — | — | US | disclosed |
| EP-0426018-A2 | Thiophene compounds and their pharmaceutical uses | YOSHITIOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1991-05-08 | — | — | EP | disclosed |