⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12355626 | 0.88 | — | — | |
| SCHEMBL2250711 | 0.82 | — | — | |
| SCHEMBL2246336 | 0.81 | CA12 (0.33) | — | |
| SCHEMBL2250702 | 0.81 | FYN (0.34) | — | |
| SCHEMBL12355692 | 0.80 | — | — | |
| SCHEMBL12355686 | 0.77 | DRD2 (0.32) | — | |
| SCHEMBL12355683 | 0.77 | — | — | |
| SCHEMBL3417685 | 0.74 | — | — | |
| SCHEMBL2246190 | 0.70 | DRD2 (0.32) | — | |
| SCHEMBL2248420 | 0.70 | — | — |
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-7989451-B2 | Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-08-02 | — | — | US | disclosed |