⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5377836 | 0.83 | — | — | |
| SCHEMBL10881995 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL9341620 | 0.75 | — | — | |
| SCHEMBL4733476 | 0.70 | HRH3 (0.36) | — | |
| SCHEMBL4542405 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL27699520 | 0.67 | — | — | |
| SCHEMBL3587410 | 0.67 | — | — | |
| SCHEMBL29905540 | 0.64 | — | — | |
| SCHEMBL3552404 | 0.64 | HRH3 (0.33) | — | |
| SCHEMBL22363261 | 0.62 | SLC6A3 (0.33) | — |
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-2008086158-A1 | BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | WO | claimed |
| WO-2008086158-A1 | BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | WO | disclosed |