⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11214566 | 0.77 | MCL1 (0.30) | — | |
| SCHEMBL9483414 | 0.75 | — | — | |
| SCHEMBL11197722 | 0.74 | — | — | |
| SCHEMBL13756086 | 0.74 | — | — | |
| SCHEMBL27480502 | 0.74 | — | — | |
| Oxalic Acid SCHEMBL29351824 | 0.73 | KDM5B (0.42) | — | |
| SCHEMBL62916 | 0.71 | — | — | |
| Methane SCHEMBL8513662 | 0.69 | — | — | |
| SCHEMBL8518830 | 0.67 | KDM5B (0.50) | — | |
| SCHEMBL2891916 | 0.67 | — | — |
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-0551230-B1 | Cyano-2-hydroxy-3-enamide derivatives, process for their preparation, their use as drugs, pharmaceutical compositions containing them and intermediates obtained | ROUSSEL UCLAF (FR) | 1995-07-19 | — | — | EP | disclosed |