⚠ 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 | |
|---|---|---|---|---|
| Hydroxyamine SCHEMBL8417352 | 0.78 | CHRM2 (0.68) | — | |
| SCHEMBL12628791 | 0.78 | CHRM2 (0.54) | — | |
| SCHEMBL12571545 | 0.78 | CHRM2 (0.54) | — | |
| SCHEMBL11587714 | 0.78 | CHRM2 (0.77) | — | |
| SCHEMBL15594 | 0.78 | CHRM2 (0.77) | — | |
| SCHEMBL2497710 | 0.77 | — | — | |
| SCHEMBL25443482 | 0.75 | CHRM2 (0.72) | — | |
| SCHEMBL8736488 | 0.75 | CHRM2 (0.82) | — | |
| SCHEMBL13703903 | 0.75 | CHRM2 (0.72) | — | |
| SCHEMBL10045281 | 0.75 | CHRM2 (0.72) | — |
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 | disclosed |
| US-20090186886-A1 | Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-07-23 | — | — | US | disclosed |