⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4310293 | 0.81 | HPGD (0.35) | — | |
| SCHEMBL31337906 | 0.79 | MAOA (0.48) | — | |
| SCHEMBL29543964 | 0.79 | MAOA (0.48) | — | |
| SCHEMBL31412109 | 0.79 | MAOA (0.48) | — | |
| SCHEMBL223379 | 0.79 | MAOA (0.48) | — | |
| SCHEMBL3289392 | 0.79 | MAOA (0.48) | — | |
| SCHEMBL10595966 | 0.77 | MAOA (0.47) | — | |
| SCHEMBL513927 | 0.75 | — | — | |
| SCHEMBL31325130 | 0.75 | — | — | |
| SCHEMBL513926 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113754595-A | Preparation method and application of 6-fluoroquinazoline derivatives containing disulfide structures | 贵州大学 | 2021-12-07 | — | — | CN | disclosed |
| EP-2178858-B1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD (IE) | 2011-12-28 | — | — | EP | disclosed |
| WO-2009015897-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2009-02-05 | — | — | WO | disclosed |