⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12837642 | 0.78 | — | — | |
| SCHEMBL29957317 | 0.78 | — | — | |
| SCHEMBL14749983 | 0.76 | — | — | |
| SCHEMBL28749378 | 0.76 | — | — | |
| SCHEMBL11591908 | 0.73 | — | — | |
| SCHEMBL1618261 | 0.67 | — | — | |
| SCHEMBL15925957 | 0.67 | — | — | |
| SCHEMBL2034431 | 0.67 | — | — | |
| SCHEMBL14749984 | 0.67 | — | — | |
| SCHEMBL808422 | 0.67 | — | — |
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-0641762-B1 | Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof | UBE INDUSTRIES (JP) | 1997-05-28 | — | — | EP | disclosed |
| US-5457225-A | Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof | UBE INDUSTRIES LTD. (JP) | 1995-10-10 | — | — | US | disclosed |
| EP-0641762-A1 | Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof | UBE INDUSTRIES, LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |