⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12324803 | 0.89 | — | — | |
| SCHEMBL12324881 | 0.71 | GSK3B (0.35) | — | |
| SCHEMBL28322925 | 0.68 | — | — | |
| SCHEMBL12502973 | 0.67 | LATS1 (0.36) | — | |
| SCHEMBL22418422 | 0.66 | SIRT3 (0.33) | — | |
| SCHEMBL18328043 | 0.64 | CYP1A2 (0.34) | — | |
| SCHEMBL12203958 | 0.62 | ADORA3 (0.38) | — | |
| SCHEMBL15693853 | 0.62 | ADORA3 (0.30) | — | |
| SCHEMBL8268785 | 0.61 | ADORA3 (0.43) | — | |
| SCHEMBL22002022 | 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-2011115677-A1 | S-TRIAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | NEW YORK UNIVERSITY (US) | 2011-09-22 | — | — | WO | disclosed |