⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12324878 | 0.89 | — | — | |
| SCHEMBL27771423 | 0.73 | — | — | |
| SCHEMBL12324881 | 0.72 | GSK3B (0.35) | — | |
| SCHEMBL27373630 | 0.69 | — | — | |
| SCHEMBL4654925 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL31095199 | 0.64 | GAA (0.44) | — | |
| SCHEMBL22002022 | 0.62 | — | — | |
| SCHEMBL25059407 | 0.61 | ADORA3 (0.35) | — | |
| SCHEMBL12203958 | 0.60 | ADORA3 (0.38) | — | |
| SCHEMBL13757116 | 0.60 | BRD4 (0.35) | — |
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-2011115677-A1 | S-TRIAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | NEW YORK UNIVERSITY (US) | 2011-09-22 | — | — | WO | disclosed |