⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11122193 | 0.82 | — | — | |
| SCHEMBL1940539 | 0.82 | — | — | |
| SCHEMBL3159581 | 0.79 | — | — | |
| SCHEMBL136756 | 0.78 | — | — | |
| SCHEMBL11269473 | 0.77 | — | — | |
| SCHEMBL11151294 | 0.75 | — | — | |
| SCHEMBL538844 | 0.75 | — | — | |
| SCHEMBL8558705 | 0.75 | — | — | |
| SCHEMBL9808705 | 0.75 | — | — | |
| SCHEMBL3628764 | 0.75 | ALDH1A1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1923379-B1 | Process for preparing chlorinated carbonyl compounds in jet loop reactors | WACKER CHEMIE AG (DE) | 2010-03-03 | — | — | EP | disclosed |
| US-7476772-B2 | Process for preparing chlorinated carbonyl compounds in jet loop reactors | WACKER CHEMIE AG (DE) | 2009-01-13 | — | — | US | disclosed |
| EP-1923379-A1 | Process for preparing chlorinated carbonyl compounds in jet loop reactors | Wacker Chemie AG (DE) | 2008-05-21 | — | — | EP | disclosed |
| US-20080114196-A1 | Process For Preparing Chlorinated Carbonyl Compounds In Jet Loop Reactors | WACKER CHEMIE AG (DE) | 2008-05-15 | — | — | US | disclosed |