⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL458799 | 0.92 | — | — | |
| SCHEMBL456244 | 0.73 | TTK (0.33) | — | |
| SCHEMBL460986 | 0.68 | ABL1 (0.38) | — | |
| SCHEMBL456366 | 0.68 | ERN1 (0.34) | — | |
| SCHEMBL13192519 | 0.68 | TTK (0.33) | — | |
| SCHEMBL455984 | 0.66 | — | — | |
| SCHEMBL12986934 | 0.65 | TTK (0.33) | — | |
| SCHEMBL10279109 | 0.62 | TTK (0.34) | — | |
| SCHEMBL456530 | 0.61 | TTK (0.33) | — | |
| SCHEMBL458935 | 0.61 | TTK (0.41) | — |
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 |