⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4292479 | 0.82 | PTPN1 (0.32) | — | |
| SCHEMBL4298036 | 0.81 | PDE2A (0.33) | — | |
| SCHEMBL3236578 | 0.79 | HTR6 (0.36) | — | |
| SCHEMBL3236499 | 0.77 | PTPN1 (0.35) | — | |
| SCHEMBL4301010 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL3235983 | 0.74 | IDO1 (0.37) | — | |
| SCHEMBL4301007 | 0.72 | GAA (0.33) | — | |
| SCHEMBL3242689 | 0.71 | MAOB (0.38) | — | |
| SCHEMBL4292242 | 0.71 | — | — | |
| SCHEMBL3244047 | 0.70 | CRHBP (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090264433-A1 | Compounds, Compositions and Methods Comprising Triazine Derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2009-10-22 | — | — | US | disclosed |