⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20084795 | 0.72 | — | — | |
| SCHEMBL12533496 | 0.69 | — | — | |
| Iodide SCHEMBL22654523 | 0.67 | — | — | |
| SCHEMBL21689378 | 0.63 | — | — | |
| SCHEMBL29163964 | 0.62 | — | — | |
| SCHEMBL2749273 | 0.61 | — | — | |
| SCHEMBL21689074 | 0.60 | — | — | |
| SCHEMBL27992924 | 0.58 | — | — | |
| SCHEMBL21845401 | 0.58 | HDAC8 (0.33) | — | |
| SCHEMBL8266703 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2188620-B1 | COMPOUNDS USEFUL AS LIGANDS AND PARTICULARLY AS ORGANIC CHROMOPHORES FOR COMPLEXING LANTHANIDES AND APPLICATIONS THEREOF | COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2017-08-23 | — | — | EP | disclosed |