⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5599002 | 0.77 | — | — | |
| SCHEMBL10698286 | 0.75 | — | — | |
| SCHEMBL7931202 | 0.67 | MAOA (0.33) | — | |
| SCHEMBL16053521 | 0.65 | — | — | |
| SCHEMBL17022723 | 0.61 | MAOA (0.38) | — | |
| SCHEMBL28394340 | 0.61 | MAOA (0.38) | — | |
| SCHEMBL8600478 | 0.61 | POLB (0.34) | — | |
| SCHEMBL13274551 | 0.61 | — | — | |
| SCHEMBL1202329 | 0.61 | — | — | |
| SCHEMBL659729 | 0.61 | — | — |
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-2010052448-A2 | FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2010-05-14 | — | — | WO | disclosed |