⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL456244 | 0.93 | TTK (0.33) | — | |
| SCHEMBL458023 | 0.81 | IKBKB (0.32) | — | |
| SCHEMBL456530 | 0.80 | TTK (0.33) | — | |
| SCHEMBL10279109 | 0.78 | TTK (0.34) | — | |
| SCHEMBL456366 | 0.78 | ERN1 (0.34) | — | |
| SCHEMBL458421 | 0.76 | TTK (0.36) | — | |
| SCHEMBL458799 | 0.74 | — | — | |
| SCHEMBL469970 | 0.72 | TTK (0.50) | — | |
| SCHEMBL457166 | 0.71 | TTK (0.42) | — | |
| SCHEMBL13192519 | 0.70 | TTK (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9255100-B2 | Substituted imidazopyridazines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-02-09 | — | — | US | disclosed |
| US-9255100-B2 | Substituted imidazopyridazines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-02-09 | — | — | US | disclosed |
| EP-2614063-B1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER IP GMBH (DE) | 2016-01-13 | — | — | EP | disclosed |
| EP-2614063-B1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER IP GMBH (DE) | 2016-01-13 | — | — | EP | disclosed |
| US-20130338133-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-12-19 | — | — | US | disclosed |
| 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 |
| WO-2012032031-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-15 | — | — | WO | disclosed |