⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL365799 | 0.87 | — | — | |
| SCHEMBL11594967 | 0.79 | — | — | |
| SCHEMBL8512227 | 0.79 | GNAI3 (0.32) | — | |
| SCHEMBL3661326 | 0.78 | GNAI3 (0.38) | — | |
| SCHEMBL11595655 | 0.78 | — | — | |
| SCHEMBL11597294 | 0.76 | — | — | |
| SCHEMBL6890839 | 0.76 | GNAI3 (0.40) | — | |
| SCHEMBL7061616 | 0.76 | GNAI3 (0.40) | — | |
| SCHEMBL9646467 | 0.75 | HIF1A (0.32) | — | |
| SCHEMBL8975017 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100305113-A1 | Substituted Imidazopyridazines as Lipid Kinase Inhibitors | CAPRARO HANS-GEORG | 2010-12-02 | — | — | US | disclosed |
| EP-2155753-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS | Novartis Ag (CH) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008138834-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS | NOVARTIS AG (CH) | 2008-11-20 | — | — | WO | disclosed |