⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL72671 | 1.00 | — | — | |
| Water SCHEMBL27872089 | 0.94 | — | — | |
| SCHEMBL23581601 | 0.94 | — | — | |
| SCHEMBL25167175 | 0.82 | — | — | |
| SCHEMBL1684361 | 0.75 | — | — | |
| SCHEMBL1043058 | 0.75 | — | — | |
| SCHEMBL217230 | 0.72 | — | — | |
| SCHEMBL2780043 | 0.71 | — | — | |
| SCHEMBL8910918 | 0.71 | — | — | |
| SCHEMBL138692 | 0.71 | — | — |
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-108191858-B | A kind of intermediate preparing pyrroloquinoline quinone and preparation method | 山东康迈祺生物科技有限公司 | 2019-11-26 | — | — | CN | disclosed |