⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4335559 | 0.79 | ATM (0.48) | — | |
| SCHEMBL1462078 | 0.76 | — | — | |
| SCHEMBL4337580 | 0.71 | — | — | |
| SCHEMBL4340138 | 0.70 | MEN1 (0.51) | — | |
| SCHEMBL4349383 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL18446 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL288480 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL125810 | 0.69 | — | — | |
| SCHEMBL3029208 | 0.67 | — | — | |
| SCHEMBL733363 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030176398-A1 | Prodrugs of GABA analogs, compositions and uses thereof | HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT | 2003-09-18 | — | — | US | claimed |
| EP-2085087-A1 | Prodrugs of gaba analogs, compositions and uses thereof | Xenoport, Inc. (US) | 2009-08-05 | — | — | EP | disclosed |
| EP-1902714-A1 | Prodrugs of gaba analogs, compositions and uses thereof | Xenoport, Inc. (US) | 2008-03-26 | — | — | EP | disclosed |