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 | |
|---|---|---|---|---|
| SCHEMBL896593 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL19922527 | 0.93 | — | — | |
| SCHEMBL9491702 | 0.87 | — | — | |
| SCHEMBL29165313 | 0.84 | ALDH1A1 (0.69) | — | |
| Iodide SCHEMBL1034234 | 0.79 | — | — | |
| SCHEMBL25807553 | 0.76 | CHRM2 (0.43) | — | |
| Iodide SCHEMBL31657059 | 0.74 | ALDH1A1 (0.92) | — | |
| Iodide SCHEMBL29558592 | 0.74 | ALDH1A1 (0.92) | — | |
| SCHEMBL308533 | 0.74 | — | — | |
| SCHEMBL21216 | 0.73 | ALDH1A1 (0.91) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160326212-A1 | Chemical Modification of Proteins | R.P. SCHERER TECHNOLOGIES, LLC | 2016-11-10 | — | — | US | disclosed |
| US-9346851-B2 | Chemical modification of proteins | R.P. SCHERER TECHNOLOGIES, LLC (US) | 2016-05-24 | — | — | US | disclosed |
| EP-2254900-B1 | CHEMICAL MODIFICATION OF PROTEINS | ISIS INNOVATION (GB) | 2012-03-14 | — | — | EP | disclosed |
| US-20110144304-A1 | Chemical Modification of Proteins | REDWOOD BIOSCIENCE, INC. | 2011-06-16 | — | — | US | disclosed |
| EP-2254900-A1 | CHEMICAL MODIFICATION OF PROTEINS | ISIS Innovation Limited (GB) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009103941-A1 | CHEMICAL MODIFICATION OF PROTEINS | ISIS INNOVATION LIMITED (GB) | 2009-08-27 | — | — | WO | disclosed |
| US-4544546-A | MEDICAL DIAGNOSIS | ABBOTT LABORATORIES (US) | 1985-10-01 | — | — | US | disclosed |