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 | |
|---|---|---|---|---|
| SCHEMBL6967823 | 0.98 | — | — | |
| Iodide SCHEMBL6965998 | 0.86 | — | — | |
| SCHEMBL6968723 | 0.83 | — | — | |
| Bromide SCHEMBL6965210 | 0.81 | — | — | |
| SCHEMBL20457721 | 0.74 | — | — | |
| SCHEMBL7086233 | 0.74 | — | — | |
| SCHEMBL14029045 | 0.74 | NOS3 (0.44) | — | |
| SCHEMBL28285173 | 0.74 | — | — | |
| SCHEMBL2632724 | 0.74 | — | — | |
| SCHEMBL14029058 | 0.74 | NOS3 (0.44) | — |
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-0944603-B1 | PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES | PROCTER & GAMBLE (US) | 2003-02-19 | — | — | EP | disclosed |
| US-6066740-A | Process for making 2-amino-2-imidazoline, guanidine and 2-amino-3,4,5,6-tetrahydropyrimidine derivatives | THE PROCTER & GAMBLE COMPANY (US) | 2000-05-23 | — | — | US | disclosed |
| EP-0944603-A1 | PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES | THE PROCTER & GAMBLE COMPANY (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998023595-A1 | PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |