⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3964235 | 1.00 | — | — | |
| SCHEMBL4690068 | 1.00 | — | — | |
| SCHEMBL3962091 | 0.75 | APLNR (0.32) | — | |
| SCHEMBL3962094 | 0.75 | APLNR (0.32) | — | |
| SCHEMBL3964240 | 0.75 | APLNR (0.32) | — | |
| SCHEMBL3967719 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL3970808 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL3966415 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL7829502 | 0.60 | ALDH1A1 (0.39) | — | |
| SCHEMBL4690070 | 0.59 | GABRA1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7557103-B2 | Imidazopyridazine compounds | ELI LILLY AND COMPANY (US) | 2009-07-07 | — | — | US | disclosed |
| US-20080153828-A1 | Imidazopyridazine Compounds | ELI LILLY AND COMPANY | 2008-06-26 | — | — | US | disclosed |