⚠ 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 | |
|---|---|---|---|---|
| Iodoacetic Acid SCHEMBL30205781 | 0.95 | — | — | |
| Iodoacetic Acid SCHEMBL55098 | 0.95 | — | — | |
| Iodoacetic Acid SCHEMBL6909906 | 0.91 | — | — | |
| Iodoacetic Acid SCHEMBL6907909 | 0.91 | — | — | |
| Iodoacetic Acid SCHEMBL13741086 | 0.91 | — | — | |
| Iodoacetic Acid SCHEMBL23152180 | 0.91 | — | — | |
| Iodoacetic Acid SCHEMBL3904173 | 0.91 | — | — | |
| Iodoacetic Acid SCHEMBL1083193 | 0.91 | — | — | |
| Iodoacetic Acid SCHEMBL6909839 | 0.91 | — | — | |
| Iodoacetic Acid SCHEMBL6909894 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090162290-A1 | METHOD FOR THE SYNTHESIS OF PENTA-PENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIOCONJUGATES PREPARATION BY A COVALENT BINDING THEREOF | THERAPHARM GMBH | 2009-06-25 | — | — | US | disclosed |
| EP-1942949-A1 | METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF | Therapharm GmbH (CH) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007028639-A1 | METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF | THERAPHARM GMBH (CH) | 2007-03-15 | — | — | WO | disclosed |
| US-4335109-A | ALUMINUM HALOHYDRATE AND WATER-SOLUBLE METAL SALT; FUNGICIDAL | KOPPERS COMPANY, INC. (US) | 1982-06-15 | — | — | US | disclosed |