⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3912478 | 0.82 | — | — | |
| SCHEMBL12595244 | 0.71 | — | — | |
| SCHEMBL19285856 | 0.71 | — | — | |
| SCHEMBL8171161 | 0.71 | PLAU (0.41) | — | |
| SCHEMBL10126795 | 0.68 | PLAU (0.35) | — | |
| SCHEMBL18193405 | 0.67 | PLAU (0.34) | — | |
| SCHEMBL13841507 | 0.67 | PLAU (0.34) | — | |
| SCHEMBL18346643 | 0.67 | CYP1A2 (0.34) | — | |
| SCHEMBL20377422 | 0.67 | TSHR (0.46) | — | |
| SCHEMBL8476852 | 0.66 | BRD4 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0418648-B1 | 4-Hydroxytetrahydropyran-2-ones as well as the corresponding dehydroxy carbon acid derivatives, salts and esters, process for their preparation, pharmaceutical preparations as well as precursors | HOECHST AG (DE) | 1995-01-11 | — | — | EP | claimed |
| US-5294724-A | Anticholesterol agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-03-15 | — | — | US | disclosed |