⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9206024 | 1.00 | — | — | |
| SCHEMBL11688566 | 0.83 | CA1 (0.43) | — | |
| SCHEMBL10993958 | 0.76 | — | — | |
| SCHEMBL21761302 | 0.76 | — | — | |
| SCHEMBL223997 | 0.76 | — | — | |
| SCHEMBL25445620 | 0.76 | — | — | |
| SCHEMBL7354746 | 0.76 | — | — | |
| SCHEMBL26114894 | 0.76 | — | — | |
| SCHEMBL8310632 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL18665526 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1032361-C | Imidazopyridazines, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-07-24 | — | — | CN | disclosed |
| EP-0381132-B1 | Imidazopyridazines, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-03-08 | — | — | EP | disclosed |
| US-5202324-A | Bronchodilators | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-04-13 | — | — | US | disclosed |
| US-5155108-A | Imidazopyridazines and use as antiasthmatic agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-10-13 | — | — | US | disclosed |
| EP-0381132-A1 | Imidazopyridazines, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-08-08 | — | — | EP | disclosed |