⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8533512 | 0.76 | MEN1 (0.52) | — | |
| SCHEMBL528195 | 0.76 | — | — | |
| SCHEMBL2651423 | 0.76 | — | — | |
| SCHEMBL606521 | 0.75 | — | — | |
| SCHEMBL20960533 | 0.74 | KMT2A (0.50) | — | |
| SCHEMBL2891874 | 0.74 | — | — | |
| SCHEMBL7830346 | 0.74 | — | — | |
| SCHEMBL12440112 | 0.74 | MEN1 (0.50) | — | |
| SCHEMBL8078660 | 0.74 | MEN1 (0.50) | — | |
| SCHEMBL16802010 | 0.74 | KMT2A (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1997803-B1 | A TECHNIQUE FOR MODIFICATION OF A BIO-PRODUCT MOLECULE AND APPLICATION OF WEED CONTROL | UNIV NANJING AGRICULTURAL (CN) | 2018-02-14 | — | — | EP | disclosed |
| US-9468209-B2 | Method for eradicating weeds with derivatives of 3-acetyl-5-sec-butyl-4-hydroxy-3-pyrrolin-2-one | NANJING AGRICULTURAL UNIVERSITY (CN) | 2016-10-18 | — | — | US | disclosed |
| US-20150141254-A1 | METHOD FOR ERADICATING WEEDS WITH DERIVATIVES OF 3-ACETYL-5-SEC-BUTYL-4-HYDROXY-3-PYRROLIN-2-ONE | NANJING AGRICULTURAL UNIVERSITY (CN) | 2015-05-21 | — | — | US | disclosed |
| US-8921274-B2 | Method for eradicating weeds with derivatives of 3-acetyl-5-sec-butyl-4-hydroxy-3-pyrrolin-2-one | NANJING AGRICULTURAL UNIVERSITY (CN) | 2014-12-30 | — | — | US | disclosed |
| US-20120172226-A1 | METHOD FOR ERADICATING WEEDS WITH DERIVATIVES OF 3-ACETYL-5-SEC-BUTYL-4-HYDROXY-3-PYRROLIN-2-ONE | Nantong Jiangshan Agrochemical & Cheimcal Limited Liability Co., Ltd. (CN) | 2012-07-05 | — | — | US | disclosed |
| EP-1997803-A1 | A TECHNIQUE FOR MODIFICATION OF A BIO-PRODUCT MOLECULE AND APPLICATION OF WEED CONTROL | Nanjing Agricultural University (CN) | 2008-12-03 | — | — | EP | disclosed |
| US-20080176748-A1 | derived from 3-acetyl-4-hydroxy-5-sec-butylpyrroline-2-ketone, a natural substance, and their potential use in agriculture for weed control | NANJING AGRICULTURAL UNIVERSITY (CN) | 2008-07-24 | — | — | US | disclosed |
| CN-101228124-A | Molecular modification of biological source compound and method for weeding | UNIV NANJING AGRICULTURAL (CN) | 2008-07-23 | — | — | CN | disclosed |