⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9938685 | 0.62 | — | — | |
| SCHEMBL31722845 | 0.60 | MAOA (0.33) | — | |
| SCHEMBL18986300 | 0.55 | — | — | |
| SCHEMBL724782 | 0.47 | — | — | |
| SCHEMBL8442480 | 0.46 | ALDH1A1 (0.33) | — | |
| SCHEMBL1292065 | 0.45 | — | — | |
| SCHEMBL8975894 | 0.45 | — | — | |
| Hydrochloric Acid SCHEMBL4832902 | 0.41 | — | — | |
| Bromide SCHEMBL21804716 | 0.41 | — | — | |
| SCHEMBL6982640 | 0.38 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2205610-A1 | THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009053715-A1 | THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-30 | — | — | WO | disclosed |