⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13001269 | 0.87 | GRIK1 (0.37) | — | |
| SCHEMBL5881401 | 0.87 | GRIK1 (0.37) | — | |
| SCHEMBL7194481 | 0.81 | — | — | |
| SCHEMBL15684941 | 0.75 | GRIK1 (0.32) | — | |
| SCHEMBL7129912 | 0.74 | — | — | |
| SCHEMBL28785195 | 0.74 | — | — | |
| SCHEMBL3648263 | 0.74 | — | — | |
| SCHEMBL7129909 | 0.74 | — | — | |
| SCHEMBL18092227 | 0.72 | — | — | |
| SCHEMBL22781433 | 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 |
|---|---|---|---|---|---|---|---|
| US-20100279368-A1 | Biocatalystic Synthesis of Quinic Acid and Conversion to Hydroquinone by Recombinant Microbes | NATIONAL SCIENCE FOUNDATION | 2010-11-04 | — | — | US | disclosed |