⚠ 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL30712029 | 0.77 | — | — | |
| SCHEMBL28213875 | 0.77 | — | — | |
| SCHEMBL3728260 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL347507 | 0.77 | — | — | |
| Potassium Ion SCHEMBL1886833 | 0.77 | — | — | |
| SCHEMBL7744943 | 0.77 | — | — | |
| SCHEMBL7519956 | 0.66 | — | — | |
| SCHEMBL49821 | 0.59 | — | — | |
| SCHEMBL27435504 | 0.59 | — | — | |
| SCHEMBL21951443 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012073251-A1 | PREPARATION OF 2, 5 - DIFORMYLFURAN FROM 5 - HMF WITH A HETEROGENEOUS MESOPOROUS SILVER CONTAINING MANGANESE CATALYST | YADAV GANAPATI DADASAHEB (IN) | 2012-06-07 | — | — | WO | disclosed |