⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL468803 | 0.79 | — | — | |
| SCHEMBL27434352 | 0.75 | TET2 (0.43) | — | |
| SCHEMBL27785116 | 0.75 | — | — | |
| SCHEMBL22026738 | 0.75 | TSHR (0.43) | — | |
| SCHEMBL27517726 | 0.75 | — | — | |
| SCHEMBL9130321 | 0.75 | — | — | |
| SCHEMBL48270 | 0.73 | GAA (0.59) | — | |
| SCHEMBL16540757 | 0.73 | KDM4E (0.37) | — | |
| SCHEMBL29040368 | 0.73 | KDM4E (0.37) | — | |
| SCHEMBL7660758 | 0.73 | PTPRC (0.40) | — |
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-20180127347-A1 | PROCESS FOR OXIDATION OF ALCOHOLS USING OXYGEN-CONTAINING GASES | SPECIALTY OPERATIONS FRANCE (FR) | 2018-05-10 | — | — | US | disclosed |