⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL353444 | 0.76 | — | — | |
| SCHEMBL9623507 | 0.62 | — | — | |
| SCHEMBL3885051 | 0.60 | — | — | |
| SCHEMBL3883020 | 0.60 | — | — | |
| SCHEMBL29824277 | 0.59 | — | — | |
| SCHEMBL28789855 | 0.59 | — | — | |
| SCHEMBL29620626 | 0.58 | — | — | |
| SCHEMBL4881031 | 0.57 | — | — | |
| SCHEMBL4553323 | 0.55 | — | — | |
| SCHEMBL8647167 | 0.55 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114929688-A | 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders | 阿莱瑞恩公司 | 2022-08-19 | — | — | CN | disclosed |