⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10815842 | 0.74 | — | — | |
| SCHEMBL127653 | 0.74 | — | — | |
| SCHEMBL11426097 | 0.72 | — | — | |
| SCHEMBL9243318 | 0.72 | TP53 (0.41) | — | |
| 2-Oxoisovalerate SCHEMBL1462512 | 0.72 | TP53 (0.41) | — | |
| SCHEMBL752677 | 0.72 | — | — | |
| 2-Oxoisovalerate SCHEMBL42329 | 0.72 | — | — | |
| 2-Oxoisovalerate SCHEMBL30552298 | 0.72 | — | — | |
| SCHEMBL3679158 | 0.71 | — | — | |
| 2-Oxoisovalerate SCHEMBL468254 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487789-A2 | IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS | Charterhouse Therapeutics Ltd. (GB) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003082813-A2 | IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS | CHARTERHOUSE THERAPEUTICS LIMITED (GB) | 2003-10-09 | — | — | WO | disclosed |
| EP-1240171-A1 | CYCLOPENTENEONE DERIVATIVES | Charterhouse Therapeutics Ltd. (GB) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001044254-A1 | CYCLOPENTENEONE DERIVATIVES | CHARTERHOUSE THERAPEUTICS LTD. (GB) | 2001-06-21 | — | — | WO | disclosed |
| CN-1023801-C | 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same | OTSUKA PHARMA CO LTD (JP) | 1994-02-16 | — | — | CN | disclosed |
| CN-88102161-A | 2-oxa-isocephem compounds, compositions containing them and processes for their preparation | — | 1988-10-05 | — | — | CN | disclosed |