⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20158964 | 0.69 | — | — | |
| SCHEMBL21367859 | 0.69 | — | — | |
| SCHEMBL20937511 | 0.69 | — | — | |
| SCHEMBL24478912 | 0.61 | — | — | |
| SCHEMBL22295936 | 0.61 | — | — | |
| SCHEMBL21894332 | 0.60 | — | — | |
| SCHEMBL23468915 | 0.57 | — | — | |
| SCHEMBL20762170 | 0.54 | GSK3A (0.40) | — | |
| SCHEMBL23559383 | 0.54 | — | — | |
| SCHEMBL16402045 | 0.53 | SMN1; SMN2 (0.32) | — |
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-3009424-B1 | BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND | ASTELLAS PHARMA INC (JP) | 2017-12-20 | — | — | EP | disclosed |