⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2932555 | 0.85 | — | — | |
| SCHEMBL2932471 | 0.73 | IL1B (0.33) | — | |
| Hydrochloric Acid SCHEMBL4281341 | 0.73 | IL1B (0.32) | — | |
| SCHEMBL2936764 | 0.69 | — | — | |
| SCHEMBL2932832 | 0.62 | SCN10A (0.33) | — | |
| SCHEMBL2984545 | 0.58 | — | — | |
| SCHEMBL4284332 | 0.57 | GSK3B (0.35) | — | |
| SCHEMBL2935929 | 0.57 | GSK3B (0.33) | — | |
| SCHEMBL1748151 | 0.53 | CES1 (0.63) | — | |
| SCHEMBL21811276 | 0.51 | KMO (0.57) | — |
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 |