⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24276378 | 0.79 | GABRR1 (0.38) | — | |
| SCHEMBL23865486 | 0.74 | GRIK1 (0.39) | — | |
| SCHEMBL4585237 | 0.74 | GABRR1 (0.46) | — | |
| SCHEMBL4585236 | 0.74 | GABRR1 (0.46) | — | |
| SCHEMBL1302432 | 0.72 | — | — | |
| SCHEMBL10406946 | 0.72 | — | — | |
| SCHEMBL6176753 | 0.72 | — | — | |
| SCHEMBL10927726 | 0.72 | — | — | |
| SCHEMBL17962643 | 0.72 | — | — | |
| SCHEMBL22648907 | 0.71 | — | — |
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-3842420-A1 | HETEROARYL INHIBITORS OF PDE4 | Tetra Discovery Partners LLC (US) | 2021-06-30 | — | — | EP | disclosed |