⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2492850 | 0.77 | — | — | |
| SCHEMBL6652283 | 0.77 | — | — | |
| SCHEMBL7613818 | 0.75 | — | — | |
| SCHEMBL7179275 | 0.68 | — | — | |
| SCHEMBL1701637 | 0.67 | — | — | |
| SCHEMBL6651971 | 0.66 | TSHR (0.34) | — | |
| SCHEMBL23625433 | 0.62 | — | — | |
| SCHEMBL1087710 | 0.62 | — | — | |
| SCHEMBL5640800 | 0.62 | — | — | |
| SCHEMBL13644355 | 0.61 | HSD17B10 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1132369-B1 | Malic acid and oxalacetic acid derivatives | DAICEL CHEM (JP) | 2004-06-09 | — | — | EP | disclosed |
| US-6489504-B2 | Malic acid and oxalacetic acid derivatives | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-12-03 | — | — | US | disclosed |
| US-20010056120-A1 | Malic acid and oxalacetic acid derivatives | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-27 | — | — | US | disclosed |
| EP-1132369-A1 | Malic acid and oxalacetic acid derivatives | Daicel Chemical Industries, Ltd. (JP) | 2001-09-12 | — | — | EP | disclosed |