⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6179035 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL8433832 | 0.76 | LMNA (0.41) | — | |
| SCHEMBL8438320 | 0.76 | — | — | |
| SCHEMBL19467 | 0.73 | — | — | |
| SCHEMBL8437652 | 0.72 | HSD17B10 (0.34) | — | |
| SCHEMBL6178177 | 0.72 | MAPK1 (0.31) | — | |
| SCHEMBL11311091 | 0.71 | — | — | |
| SCHEMBL775367 | 0.71 | — | — | |
| SCHEMBL218077 | 0.71 | — | — | |
| SCHEMBL8437444 | 0.70 | — | — |
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-0777658-B1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AG (DE) | 1999-12-15 | — | — | EP | disclosed |
| US-5885934-A | HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-23 | — | — | US | disclosed |
| EP-0777658-A1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-11 | — | — | EP | disclosed |
| WO-1996005179-A1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-22 | — | — | WO | disclosed |
| WO-1994011344-A1 | SUBSTITUTED 3,4,5,6-TETRAHYDROPHTHALIMIDES FOR USE AS HERBICIDES AND/OR DEFOLIANTS OR DESICCANTS | BASF AKTIENGESELLSCHAFT (DE) | 1994-05-26 | — | — | WO | disclosed |