⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27313956 | 0.85 | — | — | |
| SCHEMBL20745853 | 0.83 | — | — | |
| SCHEMBL22028081 | 0.83 | — | — | |
| SCHEMBL17365080 | 0.82 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL1801698 | 0.77 | — | — | |
| SCHEMBL11172833 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL20745997 | 0.74 | — | — | |
| SCHEMBL10986946 | 0.72 | — | — | |
| SCHEMBL10955481 | 0.72 | — | — | |
| SCHEMBL11227057 | 0.71 | — | — |
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-0008013-B1 | PROCESS FOR THE PREPARATION OF CARBONYL COMPOUNDS | BASF Aktiengesellschaft (DE) | 1982-02-17 | — | — | EP | disclosed |
| EP-0008013-A1 | Process for the preparation of carbonyl compounds | BASF Aktiengesellschaft (DE) | 1980-02-20 | — | — | EP | disclosed |