⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25947717 | 1.00 | — | — | |
| SCHEMBL30007313 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119776331-A | Nitrilase mutant and application thereof in synthesis of buvaracetam chiral intermediate | 浙江工业大学 | 2025-04-08 | — | — | CN | claimed |
| CN-116218823-A | Nitrilase mutant, engineering bacterium and application thereof in synthesis of (R) -3-cyanohexanoic acid | 浙江工业大学 | 2023-06-06 | — | — | CN | claimed |
| CN-119776331-A | Nitrilase mutant and application thereof in synthesis of buvaracetam chiral intermediate | 浙江工业大学 | 2025-04-08 | — | — | CN | disclosed |
| CN-117844876-A | Method for synthesizing 3-cyanopropionic acid derivative based on dynamic kinetic resolution, 3-cyanopropionic acid derivative and gamma-aminobutyric acid derivative | 浙江工业大学 | 2024-04-09 | — | — | CN | disclosed |
| CN-116218823-A | Nitrilase mutant, engineering bacterium and application thereof in synthesis of (R) -3-cyanohexanoic acid | 浙江工业大学 | 2023-06-06 | — | — | CN | disclosed |