⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21280392 | 0.77 | — | — | |
| SCHEMBL25809348 | 0.75 | — | — | |
| SCHEMBL12716286 | 0.73 | RAPGEF4 (0.32) | — | |
| SCHEMBL23299382 | 0.71 | — | — | |
| SCHEMBL21280285 | 0.71 | HMGCR (0.32) | — | |
| SCHEMBL25949830 | 0.70 | PGK1 (0.34) | — | |
| SCHEMBL7932663 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL16182203 | 0.66 | — | — | |
| SCHEMBL27850569 | 0.66 | AR (0.33) | — | |
| SCHEMBL21280484 | 0.65 | — | — |
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-2821402-B1 | NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC (JP) | 2019-08-21 | — | — | EP | disclosed |