⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4340502 | 0.73 | — | — | |
| SCHEMBL1464171 | 0.72 | — | — | |
| SCHEMBL7806775 | 0.69 | — | — | |
| SCHEMBL4335559 | 0.68 | ATM (0.48) | — | |
| SCHEMBL4338298 | 0.67 | — | — | |
| SCHEMBL4338307 | 0.66 | ALDH1A1 (0.40) | — | |
| SCHEMBL4333659 | 0.65 | — | — | |
| SCHEMBL25706 | 0.64 | ALDH1A1 (0.44) | — | |
| SCHEMBL2125856 | 0.64 | — | — | |
| SCHEMBL797109 | 0.63 | — | — |
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 |