⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11521184 | 0.77 | — | — | |
| SCHEMBL2208658 | 0.74 | — | — | |
| SCHEMBL11601366 | 0.64 | — | — | |
| SCHEMBL28144307 | 0.61 | — | — | |
| SCHEMBL4907605 | 0.61 | — | — | |
| SCHEMBL4872030 | 0.61 | — | — | |
| SCHEMBL9858372 | 0.59 | MGAM (0.35) | — | |
| SCHEMBL7720722 | 0.57 | — | — | |
| SCHEMBL28515077 | 0.56 | — | — | |
| SCHEMBL7041312 | 0.56 | — | — |
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-112725233-B | Strain for producing 2, 5-furandimethanol and application thereof | 南京科技职业学院 | 2023-02-10 | — | — | CN | disclosed |