⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7994299 | 0.81 | — | — | |
| SCHEMBL6651615 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL5988117 | 0.72 | GRM1 (0.45) | — | |
| SCHEMBL6650508 | 0.72 | MEN1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL5987774 | 0.71 | GRM1 (0.44) | — | |
| SCHEMBL6653204 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL9799212 | 0.69 | NPC1 (0.33) | — | |
| SCHEMBL6682124 | 0.68 | EPHX1 (0.33) | — | |
| SCHEMBL23495517 | 0.67 | NPC1 (0.32) | — | |
| SCHEMBL4028622 | 0.66 | ALDH1A1 (0.44) | — |
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 |