⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2679676 | 0.86 | HTR2A (0.31) | — | |
| SCHEMBL7879209 | 0.84 | NR1H4 (0.31) | — | |
| SCHEMBL1027003 | 0.82 | HSP90AA1 (0.32) | — | |
| SCHEMBL31291 | 0.78 | POLB (0.31) | — | |
| SCHEMBL29251 | 0.76 | MEN1 (0.32) | — | |
| SCHEMBL1290219 | 0.76 | SYK (0.36) | — | |
| SCHEMBL29141 | 0.75 | NTRK1 (0.32) | — | |
| SCHEMBL1290090 | 0.75 | CCNT1 (0.41) | — | |
| SCHEMBL30665 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL2679978 | 0.74 | GRK2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2417138-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | Schering Corporation (US) | 2012-02-15 | — | — | EP | disclosed |