⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15547826 | 0.78 | — | — | |
| SCHEMBL5304841 | 0.74 | — | — | |
| SCHEMBL3802013 | 0.71 | — | — | |
| SCHEMBL15546751 | 0.70 | — | — | |
| SCHEMBL1161906 | 0.65 | — | — | |
| SCHEMBL8015287 | 0.63 | — | — | |
| SCHEMBL487549 | 0.61 | — | — | |
| SCHEMBL1001754 | 0.61 | — | — | |
| SCHEMBL1001755 | 0.61 | — | — | |
| SCHEMBL4665460 | 0.61 | — | — |
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-2614063-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | Bayer Intellectual Property GmbH (DE) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012032031-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-15 | — | — | WO | disclosed |