⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9135463 | 0.59 | ALDH1A1 (0.52) | — | |
| SCHEMBL10880616 | 0.58 | KMO (0.35) | — | |
| SCHEMBL15928205 | 0.57 | KMO (0.34) | — | |
| SCHEMBL20654512 | 0.55 | AKR1C3 (0.50) | — | |
| SCHEMBL29534134 | 0.55 | AKR1C3 (0.50) | — | |
| SCHEMBL13674310 | 0.54 | NFE2L2 (0.50) | — | |
| SCHEMBL6130746 | 0.53 | CCR1 (0.50) | — | |
| SCHEMBL503953 | 0.53 | CCR1 (0.55) | — | |
| SCHEMBL30224316 | 0.53 | KMO (0.42) | — | |
| SCHEMBL1537654 | 0.53 | ALPL (0.40) | — |
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 3 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 |
| US-20090258877-A1 | TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE | BAYER HEALTHCARE AG (DE) | 2009-10-15 | — | — | US | disclosed |
| WO-2009074259-A1 | TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-06-18 | — | — | WO | disclosed |