⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26104803 | 0.82 | — | — | |
| SCHEMBL13325857 | 0.78 | — | — | |
| SCHEMBL13325855 | 0.78 | — | — | |
| SCHEMBL13325860 | 0.78 | — | — | |
| SCHEMBL28886234 | 0.78 | — | — | |
| SCHEMBL28321216 | 0.78 | — | — | |
| SCHEMBL27282322 | 0.76 | — | — | |
| SCHEMBL9615848 | 0.73 | — | — | |
| SCHEMBL993721 | 0.72 | NAMPT (0.31) | — | |
| SCHEMBL5328938 | 0.72 | — | — |
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-111635550-A | Method for reducing graphene oxide in matrix under assistance of organic solvent | 青岛科技大学 | 2020-09-08 | — | — | CN | disclosed |