⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL679523 | 0.79 | — | — | |
| SCHEMBL8620520 | 0.73 | — | — | |
| SCHEMBL1333026 | 0.71 | — | — | |
| SCHEMBL8924834 | 0.69 | — | — | |
| SCHEMBL386479 | 0.69 | — | — | |
| SCHEMBL2372718 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL10596673 | 0.69 | — | — | |
| SCHEMBL2043030 | 0.67 | — | — | |
| SCHEMBL23092535 | 0.67 | — | — | |
| SCHEMBL278814 | 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 |
|---|---|---|---|---|---|---|---|
| CN-106582623-A | Catalyst Pd-TiO2/C for synthesis of glyoxylic acid by glyoxal air oxidation and preparation method thereof | 复旦大学 | 2017-04-26 | — | — | CN | disclosed |