⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1726950 | 0.82 | — | — | |
| SCHEMBL6885672 | 0.80 | — | — | |
| SCHEMBL27554171 | 0.76 | — | — | |
| SCHEMBL5511490 | 0.76 | SLC6A4 (0.32) | — | |
| SCHEMBL5034144 | 0.75 | USP2 (0.38) | — | |
| SCHEMBL27519962 | 0.73 | SLC6A4 (0.33) | — | |
| SCHEMBL14883392 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL14883393 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL9609263 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL1727795 | 0.71 | ACHE (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1677812-A2 | TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS | Xenoport, Inc. (US) | 2006-07-12 | — | — | EP | claimed |
| WO-2005027850-A2 | TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2005-03-31 | — | — | WO | claimed |
| EP-1677767-A4 | CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG | XENOPORT INC (US) | 2008-03-05 | — | — | EP | disclosed |
| EP-1677767-A2 | CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG | Xenoport, Inc. (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005037784-A2 | CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG | XENOPORT, INC. (US) | 2005-04-28 | — | — | WO | disclosed |