⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2926717 | 0.98 | — | — | |
| Trifluoroacetic Acid SCHEMBL3597809 | 0.89 | — | — | |
| Trifluoroacetic Acid SCHEMBL3606356 | 0.81 | HRH4 (0.33) | — | |
| Ethylenediamine SCHEMBL9645942 | 0.47 | MEN1 (0.50) | — | |
| SCHEMBL28781216 | 0.47 | — | — | |
| Ethylenediamine SCHEMBL11236232 | 0.45 | — | — | |
| Ethylenediamine SCHEMBL3746452 | 0.45 | MEN1 (0.46) | — | |
| Ethylenediamine SCHEMBL3613718 | 0.45 | MEN1 (0.46) | — | |
| Ethylenediamine SCHEMBL8580116 | 0.45 | — | — | |
| Ethylenediamine SCHEMBL6286613 | 0.45 | MEN1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2229392-A1 | TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE AS GSK3BETA INHIBITORS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009074259-A1 | TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-06-18 | — | — | WO | disclosed |