⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23059276 | 1.00 | — | — | |
| SCHEMBL253674 | 0.81 | ADORA2A (0.32) | — | |
| SCHEMBL23059275 | 0.80 | ADORA2A (0.33) | — | |
| SCHEMBL23059277 | 0.80 | ADORA2A (0.33) | — | |
| SCHEMBL23059283 | 0.80 | ADORA2A (0.33) | — | |
| SCHEMBL23059289 | 0.77 | PDE9A (0.37) | — | |
| SCHEMBL23059281 | 0.75 | PDE8B (0.40) | — | |
| SCHEMBL23059282 | 0.73 | PI4KB (0.54) | — | |
| SCHEMBL15627374 | 0.73 | PI4KB (0.54) | — | |
| SCHEMBL179551 | 0.73 | PI4KB (0.54) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210060022-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. | 2021-03-04 | — | — | US | disclosed |
| US-20120059000-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | INFINITY PHARMACEUTICALS, INC. | 2012-03-08 | — | — | US | disclosed |