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 | |
|---|---|---|---|---|
| Iodide SCHEMBL4192469 | 0.89 | HIF1A (0.30) | — | |
| Iodide SCHEMBL4192464 | 0.89 | HIF1A (0.30) | — | |
| Iodide SCHEMBL4192468 | 0.89 | HIF1A (0.30) | — | |
| Iodide SCHEMBL4192473 | 0.89 | HIF1A (0.30) | — | |
| Iodide SCHEMBL7240378 | 0.88 | HDAC1 (0.30) | — | |
| Iodide SCHEMBL6293169 | 0.88 | HDAC1 (0.30) | — | |
| SCHEMBL5231471 | 0.83 | — | — | |
| SCHEMBL6139606 | 0.83 | — | — | |
| SCHEMBL6139602 | 0.83 | — | — | |
| Iodide SCHEMBL7505554 | 0.83 | HIF1A (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050187270-A1 | 16-Halogen-epothilone derivatives, method for producing them and their pharmaceutical use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-08-25 | — | — | US | disclosed |
| US-6930102-B2 | 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use | SCHERING AG (DE) | 2005-08-16 | — | — | US | disclosed |
| US-20040014978-A1 | 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use | SCHERING AG (DE) | 2004-01-22 | — | — | US | disclosed |
| US-6610736-B1 | Antitumor | SCHERING AG (DE) | 2003-08-26 | — | — | US | disclosed |
| US-20030139460-A1 | 9-oxa-epothilon derivatives, method for the production and use thereof in pharmaceutical preparations | SCHERING AG (DE) | 2003-07-24 | — | — | US | disclosed |