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 | |
|---|---|---|---|---|
| SCHEMBL669682 | 0.97 | — | — | |
| SCHEMBL21847348 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL2106833 | 0.76 | — | — | |
| SCHEMBL11761141 | 0.75 | SMPD1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL11752579 | 0.74 | — | — | |
| SCHEMBL529707 | 0.73 | CYP2D6 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL27888322 | 0.73 | — | — | |
| SCHEMBL6562544 | 0.72 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL11351741 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL5153044 | 0.71 | CYP2D6 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776125-A2 | FUNCTIONALIZED SINGLE WALLED CARBON NANOTUBES | HYPERION CATALYSIS INTERNATIONAL, INC. (US) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006130150-A2 | FUNCTIONALIZED SINGLE WALLED CARBON NANOTUBES | HYPERION CATALYSIS INTERNATIONAL, INC. (US) | 2006-12-07 | — | — | WO | disclosed |
| EP-0910340-A4 | FUNCTIONALIZED NANOTUBES | HYPERION CATALYSIS INT (US) | 2004-11-17 | — | — | EP | disclosed |
| US-20040202603-A1 | graphitic nanotubes substituted with chemical moieties or upon which certain cyclic compounds are adsorbed; complex structures comprised of such functionalized fibrils linked to one another; introducing functional groups onto the surface of such fibrils | HYPERION CATALYSIS INTERNATIONAL, INC. | 2004-10-14 | — | — | US | disclosed |
| CN-1217653-A | Functionalized nanotubes | HYPERION CATALYSIS INT (US) | 1999-05-26 | — | — | CN | disclosed |
| EP-0910340-A1 | FUNCTIONALIZED NANOTUBES | HYPERION CATALYSIS INTERNATIONAL, INC. (US) | 1999-04-28 | — | — | EP | disclosed |
| WO-1997032571-A1 | FUNCTIONALIZED NANOTUBES | HYPERION CATALYSIS INTERNATIONAL, INC. (US) | 1997-09-12 | — | — | WO | disclosed |