⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7118697 | 0.83 | — | — | |
| SCHEMBL9063171 | 0.70 | — | — | |
| SCHEMBL7128915 | 0.70 | — | — | |
| SCHEMBL29121120 | 0.70 | — | — | |
| SCHEMBL11303612 | 0.66 | — | — | |
| SCHEMBL6834919 | 0.64 | — | — | |
| SCHEMBL3194311 | 0.64 | — | — | |
| SCHEMBL21229297 | 0.63 | — | — | |
| SCHEMBL9839555 | 0.62 | — | — | |
| SCHEMBL714382 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030144541-A1 | Process for preparing alpha-halogenated retones | RHODIA CHIMIE (FR) | 2003-07-31 | — | — | US | disclosed |
| EP-1250303-A1 | METHOD FOR PREPARING ALPHA-HALOGENATED KETONES | RHODIA CHIMIE (FR) | 2002-10-23 | — | — | EP | disclosed |
| WO-2001055067-A1 | METHOD FOR PREPARING ALPHA-HALOGENATED KETONES | RHODIA CHIMIE (FR) | 2001-08-02 | — | — | WO | disclosed |