⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7930151 | 1.00 | — | — | |
| SCHEMBL10613626 | 1.00 | — | — | |
| SCHEMBL9576777 | 0.79 | — | — | |
| SCHEMBL9576775 | 0.79 | — | — | |
| SCHEMBL29197608 | 0.73 | — | — | |
| SCHEMBL557723 | 0.71 | — | — | |
| SCHEMBL510188 | 0.69 | — | — | |
| SCHEMBL510187 | 0.69 | — | — | |
| Hydrogen Sulfide SCHEMBL9318832 | 0.68 | — | — | |
| SCHEMBL10650126 | 0.67 | GABRP (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0760358-B1 | Method of manufacturing alpha-oxocarboxylate and catalyst adopted in the method | NIPPON CATALYTIC CHEM IND (JP) | 2001-06-20 | — | — | EP | disclosed |
| US-5750768-A | Method of manufacturing α-oxocarboxylate and catalyst adopted in the method | NIPPON SHOKUBAI CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0760358-A1 | Method of manufacturing alpha-oxocarboxylate and catalyst adopted in the method | NIPPON SHOKUBAI CO., LTD. (JP) | 1997-03-05 | — | — | EP | disclosed |