⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16340985 | 0.73 | — | — | |
| SCHEMBL1768871 | 0.69 | — | — | |
| SCHEMBL11496582 | 0.69 | — | — | |
| SCHEMBL207289 | 0.68 | KDM4E (0.31) | — | |
| Water SCHEMBL7145853 | 0.68 | KDM4E (0.38) | — | |
| Hydrochloric Acid SCHEMBL572631 | 0.67 | KDM4E (0.33) | — | |
| Iodide SCHEMBL4566524 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL14938359 | 0.67 | — | — | |
| SCHEMBL2380591 | 0.66 | — | — | |
| SCHEMBL13861388 | 0.66 | KDM4E (0.33) | — |
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-2821409-A1 | Metal alkylidene complexes comprising an unsymmetrical unsaturated NHC ligand | Centre National de la Recherche Scientifique (CNRS) (FR) | 2015-01-07 | — | — | EP | disclosed |