⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11315824 | 0.79 | — | — | |
| SCHEMBL24347951 | 0.79 | — | — | |
| SCHEMBL21737715 | 0.78 | — | — | |
| SCHEMBL18324332 | 0.76 | — | — | |
| SCHEMBL3079321 | 0.76 | TLR8 (0.33) | — | |
| SCHEMBL115387 | 0.75 | — | — | |
| SCHEMBL15796727 | 0.73 | COMT (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL4486064 | 0.73 | NOS1 (0.42) | — | |
| SCHEMBL9950551 | 0.73 | COMT (0.39) | — | |
| SCHEMBL15233155 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230348454-A1 | COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE | GENZYME CORPORATION | 2023-11-02 | — | — | US | disclosed |
| US-7612067-B2 | Imidazopyridazine compounds | ELI LILLY AND COMPANY (US) | 2009-11-03 | — | — | US | disclosed |
| EP-1869049-B1 | IMIDAZOPYRIDAZINE COMPOUNDS | LILLY CO ELI (US) | 2009-03-04 | — | — | EP | disclosed |
| US-20080113978-A1 | Imidazopyridazine Compounds | ELI LILLY AND COMPANY | 2008-05-15 | — | — | US | disclosed |
| EP-1869049-A1 | IMIDAZOPYRIDAZINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006102194-A1 | IMIDAZOPYRIDAZINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2006-09-28 | — | — | WO | disclosed |