⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4690070 | 0.76 | GABRA1 (0.30) | — | |
| SCHEMBL1246807 | 0.74 | DUT (0.33) | — | |
| SCHEMBL4689929 | 0.74 | GABRA1 (0.37) | — | |
| SCHEMBL30271106 | 0.72 | TAAR1 (0.43) | — | |
| SCHEMBL6347925 | 0.72 | TAAR1 (0.43) | — | |
| SCHEMBL3962876 | 0.71 | APLNR (0.31) | — | |
| SCHEMBL3966736 | 0.71 | APLNR (0.31) | — | |
| SCHEMBL3962875 | 0.71 | APLNR (0.31) | — | |
| SCHEMBL30922397 | 0.69 | DUT (0.32) | — | |
| SCHEMBL8791054 | 0.69 | TAAR1 (0.43) | — |
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-1879896-A1 | IMIDAZOPYRIDAZINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006107784-A1 | IMIDAZOPYRIDAZINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2006-10-12 | — | — | WO | disclosed |