⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7518146 | 1.00 | — | — | |
| SCHEMBL13436254 | 0.70 | — | — | |
| SCHEMBL4515180 | 0.69 | — | — | |
| SCHEMBL28065155 | 0.69 | — | — | |
| SCHEMBL23716689 | 0.69 | — | — | |
| SCHEMBL19311478 | 0.69 | — | — | |
| SCHEMBL18407825 | 0.67 | — | — | |
| SCHEMBL1004994 | 0.67 | — | — | |
| SCHEMBL8626718 | 0.65 | NFKB1 (0.38) | — | |
| SCHEMBL6294143 | 0.65 | NFKB1 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020066542-A1 | Transition metal complexes with polydentate ligands for enhancing the bleaching and delignifying effect of peroxo compounds | DEGUSSA AG (DE) | 2002-06-06 | — | — | US | disclosed |