⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11298438 | 0.90 | — | — | |
| SCHEMBL10959733 | 0.87 | — | — | |
| SCHEMBL11294585 | 0.83 | — | — | |
| SCHEMBL11291647 | 0.82 | — | — | |
| SCHEMBL11291171 | 0.79 | — | — | |
| SCHEMBL2093633 | 0.79 | — | — | |
| SCHEMBL10955481 | 0.77 | — | — | |
| SCHEMBL22028081 | 0.77 | — | — | |
| SCHEMBL10960362 | 0.77 | — | — | |
| SCHEMBL20745853 | 0.77 | — | — |
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-0007513-B1 | PROCESS FOR THE PREPARATION OF DIKETONES | BASF Aktiengesellschaft (DE) | 1982-05-19 | — | — | EP | disclosed |
| US-4235823-A | CATALYTIC OXIDATION OF GLYCOLS WITH SILVER OR COPPER CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1980-11-25 | — | — | US | disclosed |
| EP-0007513-A1 | Process for the preparation of diketones | BASF Aktiengesellschaft (DE) | 1980-02-06 | — | — | EP | disclosed |