⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9199112 | 0.87 | — | — | |
| SCHEMBL87334 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL848234 | 0.78 | — | — | |
| SCHEMBL848235 | 0.78 | — | — | |
| SCHEMBL8231656 | 0.76 | — | — | |
| SCHEMBL8960074 | 0.74 | — | — | |
| SCHEMBL9498327 | 0.70 | — | — | |
| SCHEMBL11784163 | 0.70 | — | — | |
| SCHEMBL9498336 | 0.70 | — | — | |
| SCHEMBL22508 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651945-A1 | 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS | Bayer Intellectual Property GmbH (DE) | 2013-10-23 | — | — | EP | disclosed |
| EP-2614063-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | Bayer Intellectual Property GmbH (DE) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012080236-A1 | 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012032031-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-15 | — | — | WO | disclosed |