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 | |
|---|---|---|---|---|
| SCHEMBL818966 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL534853 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL1156276 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL30102493 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL5385230 | 0.95 | — | — | |
| SCHEMBL2827554 | 0.91 | — | — | |
| SCHEMBL325542 | 0.87 | ALDH1A1 (0.31) | — | |
| Bicarbonate SCHEMBL29742345 | 0.87 | KDM4E (0.30) | — | |
| SCHEMBL17264257 | 0.84 | CYP3A4 (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6483813 | 0.82 | GPR3 (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114058309-A | Bio-based MS (Poly-styrene) gum base resin and preparation method thereof | 南京南溧新材料有限公司 | 2022-02-18 | — | — | CN | disclosed |
| EP-2606039-B1 | CONVERSION OF 5-(CHLOROMETHYL)-2-FURALDEHYDE INTO 5-METHYL-2-FUROIC ACID AND DERIVATIVES THEREOF | XF TECH INC (US) | 2018-11-14 | — | — | EP | disclosed |
| US-9108940-B2 | Conversion of 5-(chloromethyl)-2-furaldehyde into 5-methyl-2-furoic acid and derivatives thereof | XF TECHNOLOGIES INC. (US) | 2015-08-18 | — | — | US | disclosed |
| US-20140194633-A1 | CONVERSION OF 5-(CHLOROMETHYL)-2-FURALDEHYDE INTO 5-METHYL-2-FUROIC ACID AND DERIVATIVES THEREOF | XF BIOSOLUTIONS, LLC | 2014-07-10 | — | — | US | disclosed |
| US-8710250-B2 | Conversion of 5-(chloromethyl)-2-furaldehyde into 5-methyl-2-furoic acid and derivatives thereof | XF TECHNOLOGIES INC. (US) | 2014-04-29 | — | — | US | disclosed |
| US-20130267719-A1 | CONVERSION OF 5-(CHLOROMETHYL)-2-FURALDEHYDE INTO 5-METHYL-2-FUROIC ACID AND DERIVATIVES THEREOF | XF BIOSOLUTIONS, LLC | 2013-10-10 | — | — | US | disclosed |
| EP-2606039-A1 | CONVERSION OF 5-(CHLOROMETHYL)-2-FURALDEHYDE INTO 5-METHYL-2-FUROIC ACID AND DERIVATIVES THEREOF | Incitor Incorporated (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012024353-A1 | CONVERSION OF 5-(CHLOROMETHYL)-2-FURALDEHYDE INTO 5-METHYL-2-FUROIC ACID AND DERIVATIVES THEREOF | INCITOR INCORPORATED (US) | 2012-02-23 | — | — | WO | disclosed |