⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29410306 | 1.00 | — | — | |
| SCHEMBL6874554 | 0.84 | — | — | |
| SCHEMBL8342140 | 0.84 | — | — | |
| SCHEMBL1618864 | 0.82 | PPARG (0.48) | — | |
| SCHEMBL1618861 | 0.82 | PPARG (0.48) | — | |
| SCHEMBL5906857 | 0.80 | TSHR (0.52) | — | |
| SCHEMBL2058628 | 0.78 | — | — | |
| SCHEMBL2058626 | 0.78 | — | — | |
| SCHEMBL20159484 | 0.78 | — | — | |
| SCHEMBL9862301 | 0.77 | — | — |
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-2009131958-A2 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES | INSTITUTE FOR ONEWORLD HEALTH (US) | 2009-10-29 | — | — | WO | disclosed |