⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9207020 | 0.94 | — | — | |
| SCHEMBL9215474 | 0.92 | USP2 (0.33) | — | |
| SCHEMBL9150386 | 0.88 | — | — | |
| SCHEMBL3508109 | 0.81 | — | — | |
| SCHEMBL234016 | 0.81 | — | — | |
| SCHEMBL3097206 | 0.75 | — | — | |
| SCHEMBL9214313 | 0.74 | EPHX1 (0.33) | — | |
| SCHEMBL1462520 | 0.74 | — | — | |
| SCHEMBL4874234 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL1976675 | 0.71 | USP2 (0.33) | — |
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 |