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 | |
|---|---|---|---|---|
| SCHEMBL1788030 | 0.97 | — | — | |
| Bromide SCHEMBL7116645 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL7115854 | 0.93 | — | — | |
| SCHEMBL11289092 | 0.93 | CYP2C19 (0.56) | — | |
| SCHEMBL8343514 | 0.93 | CYP2C19 (0.56) | — | |
| SCHEMBL21003492 | 0.93 | CYP2C19 (0.56) | — | |
| Iodide SCHEMBL7119508 | 0.86 | CYP2C19 (0.60) | — | |
| SCHEMBL80292 | 0.82 | — | — | |
| Acetic Acid SCHEMBL7116725 | 0.81 | CYP2C19 (0.38) | — | |
| SCHEMBL14413702 | 0.79 | CYP2C19 (0.72) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945496-B1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | XEROX CORP (US) | 2003-11-12 | — | — | EP | claimed |
| US-5958121-A | SET OF INKS COMPRISING FIRST AQUEOUS INK CONSISTING OF ANIONIC COLORANT, SECOND AQUEOUS INK CONTAINING AMMONIUM SALT, WHEREIN FIRST COLORANT IS IMMOBILIZED ON SUBSTRATE BY INTERACTION WITH AMMONIUM SALT, REDUCING INTERCOLOR BLEED | XEROX CORPORATION (US) | 1999-09-28 | — | — | US | claimed |
| EP-0945496-A1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | Xerox Corporation (US) | 1999-09-29 | — | — | EP | disclosed |
| US-5958121-A | SET OF INKS COMPRISING FIRST AQUEOUS INK CONSISTING OF ANIONIC COLORANT, SECOND AQUEOUS INK CONTAINING AMMONIUM SALT, WHEREIN FIRST COLORANT IS IMMOBILIZED ON SUBSTRATE BY INTERACTION WITH AMMONIUM SALT, REDUCING INTERCOLOR BLEED | XEROX CORPORATION (US) | 1999-09-28 | — | — | US | disclosed |