⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7123553 | 1.00 | — | — | |
| SCHEMBL24106412 | 0.76 | — | — | |
| SCHEMBL3121835 | 0.75 | — | — | |
| SCHEMBL12661261 | 0.73 | — | — | |
| SCHEMBL7130151 | 0.71 | — | — | |
| SCHEMBL7130153 | 0.71 | — | — | |
| SCHEMBL665015 | 0.69 | — | — | |
| SCHEMBL665016 | 0.69 | — | — | |
| SCHEMBL18866729 | 0.67 | — | — | |
| SCHEMBL29837282 | 0.67 | DPP4 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4004073-A | Polymeric fluoromethylated dienes | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1977-01-18 | — | — | US | disclosed |