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 | |
|---|---|---|---|---|
| SCHEMBL29399188 | 0.97 | — | — | |
| SCHEMBL29714502 | 0.97 | — | — | |
| SCHEMBL76868 | 0.97 | — | — | |
| SCHEMBL13217923 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL4315780 | 0.94 | — | — | |
| SCHEMBL6863547 | 0.94 | — | — | |
| Methane SCHEMBL2924049 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL21541713 | 0.94 | — | — | |
| SCHEMBL29172247 | 0.94 | — | — | |
| SCHEMBL29850599 | 0.94 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5708002-A | ASCOMYCIN ANALOGS, IMMUNOSUPPRESSANTS | ABBOTT LABORATORIES (US) | 1998-01-13 | — | — | US | disclosed |
| US-5561228-A | IMMUNOSUPPRESSNATS; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1996-10-01 | — | — | US | disclosed |
| US-5457111-A | Side effect reduction | ABBOTT LABORATORIES (US) | 1995-10-10 | — | — | US | disclosed |
| EP-0642516-A1 | MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1995-03-15 | — | — | EP | disclosed |
| EP-0638082-A1 | MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1995-02-15 | — | — | EP | disclosed |
| EP-0642516-A4 | MACROCYCLIC IMMUNOMODULATORS. | ABBOTT LAB (US) | 1994-06-15 | — | — | EP | disclosed |
| EP-0638082-A4 | MACROCYCLIC IMMUNOMODULATORS. | ABBOTT LAB (US) | 1994-06-09 | — | — | EP | disclosed |
| WO-1993004680-A1 | MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1993-03-18 | — | — | WO | disclosed |
| WO-1993004679-A1 | MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1993-03-18 | — | — | WO | disclosed |