⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12311361 | 0.79 | ALDH1A1 (0.53) | — | |
| SCHEMBL8015076 | 0.73 | — | — | |
| SCHEMBL2829656 | 0.73 | ALOX15 (0.52) | — | |
| SCHEMBL21077572 | 0.71 | — | — | |
| SCHEMBL5859073 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL27786845 | 0.71 | — | — | |
| SCHEMBL12818469 | 0.71 | ALOX15 (0.50) | — | |
| SCHEMBL12786648 | 0.69 | — | — | |
| SCHEMBL264826 | 0.69 | — | — | |
| Urethane SCHEMBL28050553 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |
| WO-2009097446-A1 | PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2009-08-06 | — | — | WO | disclosed |