⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8618800 | 0.89 | — | — | |
| SCHEMBL7753354 | 0.87 | — | — | |
| SCHEMBL7755973 | 0.86 | — | — | |
| SCHEMBL8619501 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL7757973 | 0.84 | CYP1A2 (0.31) | — | |
| SCHEMBL7782912 | 0.84 | — | — | |
| SCHEMBL7753363 | 0.82 | — | — | |
| SCHEMBL9149516 | 0.80 | — | — | |
| SCHEMBL8613265 | 0.78 | LMNA (0.33) | — | |
| SCHEMBL7757415 | 0.77 | — | — |
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 |