⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL442485 | 0.88 | GRIN2B (0.32) | — | |
| SCHEMBL413236 | 0.69 | — | — | |
| SCHEMBL1691586 | 0.67 | CYP2D6 (0.34) | — | |
| SCHEMBL1691762 | 0.67 | CNR2 (0.31) | — | |
| SCHEMBL442630 | 0.67 | GPR119 (0.33) | — | |
| SCHEMBL222814 | 0.66 | MGAM (0.42) | — | |
| SCHEMBL17707484 | 0.66 | GRIN2B (0.33) | — | |
| SCHEMBL31018231 | 0.65 | CNR1 (0.31) | — | |
| SCHEMBL444476 | 0.65 | GRIN2B (0.32) | — | |
| SCHEMBL856194 | 0.61 | OGA (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2684871-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2016-05-04 | — | — | EP | disclosed |