⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2249013 | 0.93 | DYRK1A (0.31) | — | |
| SCHEMBL2252216 | 0.88 | DYRK1A (0.31) | — | |
| SCHEMBL2244541 | 0.84 | CA12 (0.33) | — | |
| SCHEMBL2246298 | 0.83 | CA12 (0.33) | — | |
| SCHEMBL2248413 | 0.81 | RPS6KB2 (0.31) | — | |
| SCHEMBL2243633 | 0.79 | DYRK1A (0.32) | — | |
| SCHEMBL2242966 | 0.77 | ACHE (0.31) | — | |
| SCHEMBL2244602 | 0.75 | HTR2C (0.35) | — | |
| SCHEMBL2241566 | 0.71 | DYRK1A (0.38) | — | |
| SCHEMBL3383021 | 0.70 | HTR1D (0.38) | — |
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 2 patents. 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 | claimed |
| 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 |