⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6842743 | 0.79 | PTGS2 (0.32) | — | |
| SCHEMBL958319 | 0.75 | KDM5B (0.34) | — | |
| SCHEMBL956234 | 0.66 | VCP (0.33) | — | |
| SCHEMBL6842793 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL954281 | 0.65 | PTGS2 (0.32) | — | |
| SCHEMBL6842718 | 0.64 | KDM5B (0.32) | — | |
| SCHEMBL956759 | 0.63 | VCP (0.31) | — | |
| SCHEMBL6842809 | 0.63 | EGFR (0.32) | — | |
| SCHEMBL6842778 | 0.63 | CYP1A1 (0.32) | — | |
| SCHEMBL955918 | 0.63 | VCP (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |