⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2974066 | 0.80 | L3MBTL1 (0.37) | — | |
| SCHEMBL2105140 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL22757 | 0.77 | POLB (0.31) | — | |
| SCHEMBL16395362 | 0.77 | POLB (0.38) | — | |
| SCHEMBL2968624 | 0.77 | NPC1 (0.38) | — | |
| SCHEMBL9723567 | 0.77 | L3MBTL1 (0.31) | — | |
| SCHEMBL2105809 | 0.77 | EPHX2 (0.36) | — | |
| SCHEMBL8009349 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL10883252 | 0.76 | — | — | |
| SCHEMBL2721267 | 0.76 | HPGD (0.41) | — |
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-0148499-A2 | Substituted derivatives of malonic acid, process for their preparation and their use as pesticides | BAYER AG (DE) | 1985-07-17 | — | — | EP | disclosed |