⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24258706 | 0.86 | EPHX1 (0.32) | — | |
| SCHEMBL17172975 | 0.83 | MEN1 (0.35) | — | |
| SCHEMBL10119968 | 0.83 | FASN (0.33) | — | |
| SCHEMBL10119966 | 0.80 | DPP4 (0.39) | — | |
| SCHEMBL24023240 | 0.78 | — | — | |
| SCHEMBL10119977 | 0.77 | RIPK1 (0.33) | — | |
| SCHEMBL23777011 | 0.77 | RIPK1 (0.30) | — | |
| SCHEMBL10140418 | 0.77 | PDK2 (0.33) | — | |
| SCHEMBL7906643 | 0.72 | CHRNB2 (0.48) | — | |
| SCHEMBL1463336 | 0.71 | CHRNA4 (0.57) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293736-B2 | Purine compounds selective for PI3K P110 delta, and methods of use | F. HOFFMANN LA ROCHE AG (CH) | 2012-10-23 | — | — | US | disclosed |
| US-8293736-B2 | Purine compounds selective for PI3K P110 delta, and methods of use | F. HOFFMANN LA ROCHE AG (CH) | 2012-10-23 | — | — | US | disclosed |
| US-20120015931-A1 | PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | US | disclosed |
| US-20120015931-A1 | PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | US | disclosed |