⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2699631 | 0.66 | PPARG (0.33) | — | |
| SCHEMBL2254540 | 0.65 | — | — | |
| SCHEMBL1005739 | 0.65 | — | — | |
| SCHEMBL2162382 | 0.65 | — | — | |
| SCHEMBL2162384 | 0.65 | — | — | |
| SCHEMBL1005740 | 0.65 | — | — | |
| SCHEMBL15771705 | 0.62 | — | — | |
| SCHEMBL106893 | 0.62 | — | — | |
| SCHEMBL106894 | 0.62 | — | — | |
| SCHEMBL23665 | 0.58 | — | — |
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-2758400-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | Bayer Intellectual Property GmbH (DE) | 2014-07-30 | — | — | EP | disclosed |
| EP-2651948-A1 | IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS | Bayer Intellectual Property GmbH (DE) | 2013-10-23 | — | — | EP | disclosed |
| WO-2013041634-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-03-28 | — | — | WO | disclosed |
| WO-2012080229-A1 | IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-21 | — | — | WO | disclosed |