⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28507222 | 0.83 | — | — | |
| SCHEMBL10345820 | 0.81 | — | — | |
| SCHEMBL7078217 | 0.74 | — | — | |
| SCHEMBL1568160 | 0.73 | — | — | |
| SCHEMBL264316 | 0.72 | — | — | |
| SCHEMBL13496566 | 0.67 | — | — | |
| SCHEMBL11655457 | 0.67 | — | — | |
| SCHEMBL1101254 | 0.65 | — | — | |
| SCHEMBL31350266 | 0.65 | MEN1 (0.39) | — | |
| SCHEMBL2337154 | 0.65 | — | — |
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-108976403-B | Process for producing polyester | 济南朝晖科技有限公司 | 2021-01-12 | — | — | CN | disclosed |