⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9008004 | 0.82 | — | — | |
| SCHEMBL1925068 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL3939489 | 0.79 | — | — | |
| SCHEMBL2167639 | 0.77 | — | — | |
| SCHEMBL27923023 | 0.77 | — | — | |
| SCHEMBL456942 | 0.77 | — | — | |
| SCHEMBL27674127 | 0.76 | PNMT (0.39) | — | |
| SCHEMBL10509760 | 0.74 | — | — | |
| SCHEMBL3071607 | 0.74 | — | — | |
| SCHEMBL6752703 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0320733-B1 | 2-TERT.-BUTYL-5-ISOXAZOLYL METHYLTHIO-3(2H)-PYRIDAZIN-3-ONE DERIVATIVES | BASF Aktiengesellschaft (DE) | 1993-03-03 | — | — | EP | disclosed |
| US-4929617-A | INSECTICIDES, MITICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1990-05-29 | — | — | US | disclosed |
| EP-0351589-A2 | 3(2H)-Pyridazinone derivatives for controlling snails | BASF Aktiengesellschaft (DE) | 1990-01-24 | — | — | EP | disclosed |
| EP-0320733-A2 | 2-tert.-butyl-5-isoxazolyl methylthio-3(2H)-pyridazin-3-one derivatives | BASF Aktiengesellschaft (DE) | 1989-06-21 | — | — | EP | disclosed |
| EP-0017976-A2 | Process for preparing imidazole derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-10-29 | — | — | EP | disclosed |