⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13079590 | 0.78 | — | — | |
| SCHEMBL283457 | 0.78 | — | — | |
| SCHEMBL280607 | 0.72 | CYP3A4 (0.31) | — | |
| SCHEMBL151840 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL8274598 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL11981766 | 0.61 | — | — | |
| SCHEMBL280595 | 0.58 | — | — | |
| SCHEMBL12362391 | 0.58 | LMNA (0.47) | — | |
| SCHEMBL261498 | 0.57 | RNPEP (0.41) | — | |
| SCHEMBL13071703 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006000904-A2 | PREPARATION OF PREGABALIN AND RELATED COMPOUNDS | WARNER-LAMBERT COMPANY LLC (US) | 2006-01-05 | — | — | WO | disclosed |