⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3267532 | 1.00 | — | — | |
| SCHEMBL9063675 | 1.00 | — | — | |
| SCHEMBL9063678 | 1.00 | — | — | |
| SCHEMBL11442882 | 1.00 | — | — | |
| SCHEMBL9063673 | 1.00 | — | — | |
| SCHEMBL11442884 | 1.00 | — | — | |
| SCHEMBL3267539 | 1.00 | — | — | |
| SCHEMBL27730306 | 0.98 | — | — | |
| SCHEMBL4737335 | 0.92 | — | — | |
| SCHEMBL27749381 | 0.92 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2041059-B1 | METHOD FOR THE PRODUCTION OF CYCLIC KETONES | BASF SE (DE) | 2010-06-16 | — | — | EP | disclosed |
| EP-2041060-B1 | METHOD FOR THE PRODUCTION OF CYCLIC KETONES | BASF SE (DE) | 2009-12-16 | — | — | EP | disclosed |
| EP-2041059-A1 | METHOD FOR THE PRODUCTION OF CYCLIC KETONES | BASF SE (DE) | 2009-04-01 | — | — | EP | disclosed |
| EP-2041060-A1 | METHOD FOR THE PRODUCTION OF CYCLIC KETONES | BASF SE (DE) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008000757-A1 | METHOD FOR THE PRODUCTION OF CYCLIC KETONES | BASF AKTIENGESELLSCHAFT (DE) | 2008-01-03 | — | — | WO | disclosed |
| WO-2008000756-A1 | METHOD FOR THE PRODUCTION OF CYCLIC KETONES | BASF AKTIENGESELLSCHAFT (DE) | 2008-01-03 | — | — | WO | disclosed |