⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL402790 | 0.76 | — | — | |
| SCHEMBL4694013 | 0.76 | — | — | |
| SCHEMBL1934488 | 0.62 | — | — | |
| SCHEMBL8816500 | 0.62 | — | — | |
| SCHEMBL8216273 | 0.62 | — | — | |
| Water SCHEMBL2227277 | 0.60 | — | — | |
| Water SCHEMBL2227274 | 0.60 | — | — | |
| SCHEMBL646544 | 0.60 | — | — | |
| SCHEMBL23501635 | 0.58 | — | — | |
| SCHEMBL8587917 | 0.58 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1023680-C | Herbicidal pyridine sulfonylureas | DU PONT (US) | 1994-02-09 | — | — | CN | disclosed |
| CN-1019538-B | APPLICATION FOR 2-(2'-NITROBENZOYL) -1,3-CYCLOHEXANEDIONES | STAUFFER CHEMICAL CO (US) | 1992-12-23 | — | — | CN | disclosed |
| CN-1015044-B | Herbicidal composition containing 2- (2' -nitrobenzoyl) -1, 3-cyclohexanedione and application thereof | STAUFFER CHEMICAL CO (US) | 1991-12-11 | — | — | CN | disclosed |
| CN-1039799-A | Preparation and application of 2- (2' -nitrobenzoyl) -1, 3-cyclohexanedione compound | STAUFFER CHEMICAL CO (US) | 1990-02-21 | — | — | CN | disclosed |
| CN-87107320-A | Herbicidal pyridine sulfonylureas | — | 1988-12-07 | — | — | CN | disclosed |
| CN-85109771-A | Preparation and application of 2- (2-nitrobenzoyl) -1, 3-cyclohexanedione compound | — | 1987-07-29 | — | — | CN | disclosed |
| CN-86105501-A | Pyridine derivate and preparation method thereof and herbicidal composition | — | 1987-01-21 | — | — | CN | disclosed |