⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26512104 | 0.74 | MAPKAPK2 (0.35) | — | |
| SCHEMBL3787735 | 0.71 | — | — | |
| SCHEMBL5320061 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL15889072 | 0.69 | CCR1 (0.31) | — | |
| SCHEMBL30783033 | 0.68 | — | — | |
| SCHEMBL1395026 | 0.68 | — | — | |
| SCHEMBL12920473 | 0.65 | CHRNB2 (0.31) | — | |
| SCHEMBL6542208 | 0.64 | — | — | |
| SCHEMBL10506719 | 0.63 | CDC25B (0.35) | — | |
| SCHEMBL18054862 | 0.63 | — | — |
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-20200061062-A1 | INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORPORATION | 2020-02-27 | — | — | US | disclosed |