⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14428823 | 0.83 | HIF1A (0.33) | — | |
| SCHEMBL25633775 | 0.80 | — | — | |
| SCHEMBL20126411 | 0.80 | — | — | |
| SCHEMBL25633774 | 0.77 | — | — | |
| SCHEMBL10110534 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL12833579 | 0.71 | HIF1A (0.34) | — | |
| SCHEMBL20009694 | 0.71 | HIF1A (0.39) | — | |
| SCHEMBL13120133 | 0.69 | HIF1A (0.35) | — | |
| SCHEMBL13105443 | 0.69 | HIF1A (0.35) | — | |
| SCHEMBL17973347 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230181523-A1 | GLUCONIC ACID DERIVATIVES FOR USE IN THE TREATMENT AND/OR PREVENTION OF MICROBIAL INFECTIONS | GEDEA BIOTECH AB (SE) | 2023-06-15 | — | — | US | disclosed |