⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2680136 | 0.91 | — | — | |
| SCHEMBL10239138 | 0.86 | OPRL1 (0.31) | — | |
| SCHEMBL589188 | 0.85 | CHEK1 (0.39) | — | |
| SCHEMBL596096 | 0.81 | — | — | |
| SCHEMBL589580 | 0.80 | — | — | |
| SCHEMBL2680880 | 0.80 | — | — | |
| SCHEMBL2679964 | 0.79 | — | — | |
| SCHEMBL10239080 | 0.78 | OPRL1 (0.32) | — | |
| SCHEMBL10235000 | 0.78 | CHEK1 (0.39) | — | |
| SCHEMBL2680137 | 0.78 | MAP4K4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |