⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4757216 | 0.91 | — | — | |
| SCHEMBL6884895 | 0.90 | LMNA (0.33) | — | |
| SCHEMBL6880645 | 0.90 | — | — | |
| SCHEMBL3809933 | 0.89 | — | — | |
| SCHEMBL3818944 | 0.85 | — | — | |
| SCHEMBL6885803 | 0.83 | — | — | |
| SCHEMBL6881280 | 0.83 | — | — | |
| SCHEMBL3818365 | 0.83 | CTSL (0.31) | — | |
| SCHEMBL5145749 | 0.81 | LMNA (0.41) | — | |
| SCHEMBL14877154 | 0.81 | CTSK (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1404324-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2004-12-22 | — | — | EP | disclosed |
| EP-1404324-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| WO-2002100347-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | disclosed |