⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7117939 | 0.78 | — | — | |
| SCHEMBL27250628 | 0.73 | — | — | |
| SCHEMBL7128397 | 0.70 | — | — | |
| SCHEMBL2979207 | 0.66 | — | — | |
| SCHEMBL10347916 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL15295078 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL295445 | 0.64 | CYP2D6 (0.30) | — | |
| SCHEMBL7179847 | 0.64 | — | — | |
| Methyl Alcohol SCHEMBL5708603 | 0.60 | TSHR (0.30) | — | |
| SCHEMBL14390295 | 0.60 | — | — |
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 |