⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9207799 | 0.95 | USP2 (0.33) | — | |
| SCHEMBL8316025 | 0.93 | USP2 (0.36) | — | |
| SCHEMBL9210114 | 0.81 | — | — | |
| SCHEMBL9214195 | 0.77 | — | — | |
| SCHEMBL9214395 | 0.76 | EPHX1 (0.39) | — | |
| SCHEMBL21827088 | 0.76 | — | — | |
| SCHEMBL5381314 | 0.74 | USP2 (0.43) | — | |
| SCHEMBL5388503 | 0.73 | USP2 (0.47) | — | |
| SCHEMBL5388115 | 0.73 | USP2 (0.47) | — | |
| SCHEMBL8315485 | 0.72 | USP2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0444549-B1 | Imidazopyridazines their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-01-25 | — | — | EP | disclosed |
| US-5145850-A | Antiasthmatic | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-09-08 | — | — | US | disclosed |
| EP-0444549-A1 | Imidazopyridazines their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-09-04 | — | — | EP | disclosed |