⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20685 | 0.89 | — | — | |
| SCHEMBL10238476 | 0.86 | CHEK1 (0.32) | — | |
| SCHEMBL10251938 | 0.86 | — | — | |
| SCHEMBL15007526 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL15007525 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL10251331 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL7882392 | 0.85 | — | — | |
| SCHEMBL20772 | 0.84 | KDM4E (0.30) | — | |
| SCHEMBL14298085 | 0.83 | — | — | |
| SCHEMBL14298074 | 0.83 | — | — |
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-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |