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 | |
|---|---|---|---|---|
| SCHEMBL268403 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4383683 | 0.90 | — | — | |
| SCHEMBL2868165 | 0.64 | — | — | |
| SCHEMBL5419127 | 0.63 | — | — | |
| Iodide SCHEMBL5307298 | 0.60 | — | — | |
| SCHEMBL20636757 | 0.60 | — | — | |
| Propane SCHEMBL107205 | 0.57 | — | — | |
| Propane SCHEMBL28071211 | 0.57 | — | — | |
| Propane SCHEMBL6948014 | 0.57 | — | — | |
| SCHEMBL10215 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3774795-A1 | 4-(1H- IMIDAZOL- 5- YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS | Masarykova Univerzita (CZ) | 2021-02-17 | — | — | EP | disclosed |
| WO-2019185631-A1 | 4—(1H— IMIDAZOL— 5— YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS | MASARYKOVA UNIVERZITA (CZ) | 2019-10-03 | — | — | WO | disclosed |
| EP-0328020-A2 | Use of a catalyst in epoxy compositions | THE DOW CHEMICAL COMPANY (US) | 1989-08-16 | — | — | EP | disclosed |