⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2250702 | 0.90 | FYN (0.34) | — | |
| SCHEMBL12355685 | 0.89 | — | — | |
| SCHEMBL12355700 | 0.87 | FYN (0.42) | — | |
| SCHEMBL2246190 | 0.82 | DRD2 (0.32) | — | |
| SCHEMBL2248203 | 0.81 | — | — | |
| SCHEMBL2243683 | 0.81 | — | — | |
| SCHEMBL2241369 | 0.79 | CA12 (0.33) | — | |
| SCHEMBL2241454 | 0.79 | TMEM97 (0.31) | — | |
| SCHEMBL2245987 | 0.77 | TMEM97 (0.33) | — | |
| SCHEMBL2248784 | 0.76 | SIGMAR1 (0.33) | — |
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 8 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 |
| EP-1866292-B1 | TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS | AUCKLAND UNISERVICES LTD (NZ) | 2010-12-15 | — | — | EP | claimed |
| 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 | 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 |
| 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 |
| EP-1866292-B1 | TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS | AUCKLAND UNISERVICES LTD (NZ) | 2010-12-15 | — | — | EP | 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 |
| 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 |