⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8587066 | 0.76 | GRIK1 (0.31) | — | |
| SCHEMBL9785500 | 0.76 | GRIK1 (0.31) | — | |
| SCHEMBL10980775 | 0.75 | GRIK1 (0.43) | — | |
| SCHEMBL10980772 | 0.75 | GRIK1 (0.43) | — | |
| SCHEMBL5420620 | 0.74 | GRIK1 (0.39) | — | |
| SCHEMBL9785440 | 0.74 | GRIK1 (0.39) | — | |
| SCHEMBL17757012 | 0.74 | GRIK1 (0.39) | — | |
| SCHEMBL23586136 | 0.71 | — | — | |
| SCHEMBL10983875 | 0.71 | — | — | |
| SCHEMBL10983872 | 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 |
|---|---|---|---|---|---|---|---|
| US-20200354384-A1 | HETEROARYL INHIBITORS OF PDE4 | Tetra Discovery Partners, LLC | 2020-11-12 | — | — | US | disclosed |