⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1028713 | 0.77 | FAAH (0.30) | — | |
| SCHEMBL160259 | 0.74 | — | — | |
| SCHEMBL16055953 | 0.73 | PDE2A (0.43) | — | |
| SCHEMBL1231007 | 0.73 | PDE2A (0.31) | — | |
| SCHEMBL27330791 | 0.72 | — | — | |
| SCHEMBL9019981 | 0.70 | IDO1 (0.42) | — | |
| SCHEMBL2014275 | 0.69 | PDE2A (0.47) | — | |
| SCHEMBL9309 | 0.68 | — | — | |
| SCHEMBL6204507 | 0.67 | — | — | |
| SCHEMBL27535345 | 0.67 | HRH1 (0.37) | — |
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-107567449-A | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2018-01-09 | — | — | CN | disclosed |
| CN-105745214-A | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2016-07-06 | — | — | CN | disclosed |