⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7755958 | 0.94 | — | — | |
| SCHEMBL7753387 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL7753363 | 0.82 | — | — | |
| SCHEMBL7792583 | 0.81 | — | — | |
| SCHEMBL7753354 | 0.81 | — | — | |
| SCHEMBL8616060 | 0.81 | TSHR (0.41) | — | |
| SCHEMBL7756933 | 0.79 | MMP8 (0.37) | — | |
| SCHEMBL7753358 | 0.79 | CYP1A2 (0.32) | — | |
| SCHEMBL8332333 | 0.79 | MMP8 (0.32) | — | |
| SCHEMBL8462329 | 0.78 | TSHR (0.31) | — |
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-0850927-B1 | Novel oxalic acid peroxide compositions and their uses | ATOFINA CHEM INC (US) | 2001-03-14 | — | — | EP | disclosed |
| US-5866712-A | POLYMERIZATION AND CURING CATALYSTS | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1999-02-02 | — | — | US | disclosed |
| EP-0850927-A1 | Novel oxalic acid peroxide compositions and uses | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1998-07-01 | — | — | EP | disclosed |