⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2889202 | 0.82 | — | — | |
| SCHEMBL3344950 | 0.79 | — | — | |
| SCHEMBL977204 | 0.78 | — | — | |
| SCHEMBL21799259 | 0.71 | — | — | |
| SCHEMBL2123900 | 0.64 | — | — | |
| SCHEMBL17890370 | 0.64 | — | — | |
| SCHEMBL975747 | 0.64 | — | — | |
| SCHEMBL7873010 | 0.64 | — | — | |
| SCHEMBL22660892 | 0.64 | — | — | |
| SCHEMBL137734 | 0.64 | — | — |
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-4189321-A | COUPLER CONTAINING AT LEAST FOUR 5-PYRAZOLONE RESIDUES | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1980-02-19 | — | — | US | disclosed |