⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30440232 | 1.00 | — | — | |
| SCHEMBL25947717 | 1.00 | — | — | |
| SCHEMBL20368987 | 0.87 | TSHR (0.48) | — | |
| SCHEMBL7046647 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL11507723 | 0.83 | TSHR (0.44) | — | |
| SCHEMBL532758 | 0.83 | — | — | |
| SCHEMBL819217 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL11162099 | 0.80 | — | — | |
| SCHEMBL214487 | 0.78 | — | — | |
| SCHEMBL573231 | 0.78 | — | — |
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-114908075-A | Method for synthesizing brivaracetam chiral intermediate by enzyme method | 浙江工业大学 | 2022-08-16 | — | — | CN | disclosed |