⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27822919 | 0.67 | — | — | |
| SCHEMBL2505492 | 0.63 | — | — | |
| SCHEMBL27884552 | 0.61 | — | — | |
| SCHEMBL315517 | 0.61 | — | — | |
| SCHEMBL3187920 | 0.61 | — | — | |
| SCHEMBL6846493 | 0.60 | — | — | |
| SCHEMBL2502727 | 0.60 | — | — | |
| SCHEMBL23617519 | 0.60 | — | — | |
| SCHEMBL20184140 | 0.60 | — | — | |
| SCHEMBL10749656 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104520298-B | For treating two azepines ketone derivatives of fragile X syndrome, parkinson disease or reflux disease | 诺华股份有限公司 | 2016-10-19 | — | — | CN | disclosed |
| CN-104520298-A | Diazepinone derivatives useful for the treatment of fragile x syndrome, parkinsons or reflux disease | NOVARTIS AG | 2015-04-15 | — | — | CN | disclosed |