⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15031514 | 0.92 | — | — | |
| SCHEMBL15031453 | 0.90 | DGAT1 (0.39) | — | |
| SCHEMBL16229241 | 0.90 | — | — | |
| SCHEMBL15026300 | 0.89 | DGAT1 (0.31) | — | |
| SCHEMBL15007530 | 0.89 | DGAT1 (0.31) | — | |
| SCHEMBL15007529 | 0.89 | DGAT1 (0.31) | — | |
| SCHEMBL16229240 | 0.88 | — | — | |
| SCHEMBL16229238 | 0.88 | MTOR (0.39) | — | |
| SCHEMBL16222860 | 0.88 | DGAT1 (0.34) | — | |
| SCHEMBL15031516 | 0.85 | DGAT1 (0.30) | — |
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-8883801-B2 | Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-11-11 | — | — | US | disclosed |