⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10094142 | 0.72 | — | — | |
| SCHEMBL5154772 | 0.71 | — | — | |
| SCHEMBL10094055 | 0.67 | — | — | |
| SCHEMBL4472866 | 0.67 | — | — | |
| SCHEMBL14295009 | 0.61 | — | — | |
| SCHEMBL5308712 | 0.56 | — | — | |
| SCHEMBL8190666 | 0.55 | — | — | |
| SCHEMBL9779717 | 0.52 | — | — | |
| SCHEMBL31128745 | 0.46 | — | — | |
| SCHEMBL14771417 | 0.46 | BACE1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2012021611-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |