⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2600387 | 0.84 | — | — | |
| SCHEMBL538101 | 0.77 | — | — | |
| SCHEMBL3682828 | 0.72 | — | — | |
| SCHEMBL10454648 | 0.72 | — | — | |
| SCHEMBL880784 | 0.72 | — | — | |
| SCHEMBL5835900 | 0.72 | MAPT (0.38) | — | |
| SCHEMBL5835905 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL10923810 | 0.70 | — | — | |
| SCHEMBL14618687 | 0.69 | — | — | |
| SCHEMBL7222969 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8492584-B2 | Process and apparatus for oxidizing organic compounds | BASF SE (DE) | 2013-07-23 | — | — | US | disclosed |
| US-20110137077-A1 | PROCESS AND APPARATUS FOR OXIDIZING ORGANIC COMPOUNDS | BASF SE (DE) | 2011-06-09 | — | — | US | disclosed |
| EP-2190806-A2 | PROCESS AND APPARATUS FOR OXIDIZING ORGANIC COMPOUNDS | BASF SE (DE) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009024549-A2 | PROCESS AND APPARATUS FOR OXIDIZING ORGANIC COMPOUNDS | BASF SE (DE) | 2009-02-26 | — | — | WO | disclosed |
| US-4263447-A | CATALYTIC OXIDATION OF CYCLOALKENES, WITH ACID ACTIVATOR | UNION CARBIDE CORPORATION (US) | 1981-04-21 | — | — | US | disclosed |