⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6294099 | 0.83 | — | — | |
| SCHEMBL11131536 | 0.81 | — | — | |
| SCHEMBL175688 | 0.79 | LAP3 (0.34) | — | |
| Butane SCHEMBL7716695 | 0.79 | FDPS (0.39) | — | |
| SCHEMBL28158313 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL28158311 | 0.74 | PPARD (0.33) | — | |
| SCHEMBL6074848 | 0.71 | — | — | |
| SCHEMBL5105448 | 0.71 | LAP3 (0.37) | — | |
| Phosphoric Acid SCHEMBL2580447 | 0.70 | LAP3 (0.39) | — | |
| SCHEMBL15537597 | 0.70 | FDPS (0.50) | — |
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-117247848-B | Bacterial strain for producing nitrilase, fermentation method and application | 鲁东大学 | 2024-01-30 | — | — | CN | claimed |
| CN-117247848-B | Bacterial strain for producing nitrilase, fermentation method and application | 鲁东大学 | 2024-01-30 | — | — | CN | disclosed |
| CN-117247848-B | Bacterial strain for producing nitrilase, fermentation method and application | 鲁东大学 | 2024-01-30 | — | — | CN | disclosed |
| CN-117247848-A | Bacterial strain for producing nitrilase, fermentation method and application | 鲁东大学 | 2023-12-19 | — | — | CN | disclosed |
| CN-117247848-A | Bacterial strain for producing nitrilase, fermentation method and application | 鲁东大学 | 2023-12-19 | — | — | CN | disclosed |