⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9787988 | 0.77 | — | — | |
| SCHEMBL2071264 | 0.70 | — | — | |
| SCHEMBL5805108 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL2163554 | 0.69 | — | — | |
| SCHEMBL6597172 | 0.68 | — | — | |
| SCHEMBL6597175 | 0.68 | — | — | |
| SCHEMBL11100944 | 0.67 | — | — | |
| SCHEMBL182649 | 0.65 | — | — | |
| SCHEMBL3498234 | 0.65 | — | — | |
| SCHEMBL14159093 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1902714-B1 | Prodrugs of gaba analogs, compositions and uses thereof | XENOPORT INC (US) | 2012-01-11 | — | — | EP | disclosed |
| US-7173137-B2 | Epothilone analogs | THE SCRIPPS RESEARCH INSTITUTE (US) | 2007-02-06 | — | — | US | disclosed |