⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11726630 | 0.79 | — | — | |
| SCHEMBL20927600 | 0.76 | — | — | |
| SCHEMBL24584917 | 0.75 | MAOB (0.32) | — | |
| SCHEMBL14073865 | 0.74 | MAOB (0.36) | — | |
| SCHEMBL10261078 | 0.74 | PYCR1 (0.33) | — | |
| SCHEMBL1245328 | 0.73 | — | — | |
| SCHEMBL3020647 | 0.73 | — | — | |
| SCHEMBL22160249 | 0.72 | TRPA1 (0.40) | — | |
| SCHEMBL6160637 | 0.71 | — | — | |
| SCHEMBL9956876 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4362548-A | Herbicidal and plant-growth-regulating N-substituted-N-(2,5-dialkylpyrrol-1-yl) haloacetamides | CHEVRON RESEARCH COMPANY (US) | 1982-12-07 | — | — | US | disclosed |
| US-4282028-A | Herbicidal and plant-growth-regulating N-substituted-N-(2,5-dialkylpyrrol-1-yl) haloacetamides | CHEVRON RESEARCH COMPANY (US) | 1981-08-04 | — | — | US | disclosed |
| US-3997326-A | Herbicidal N-(N'-alkynylcarbamylmethyl) 2,6-dialkyl-alpha-haloacetanilides | CHEVRON RESEARCH COMPANY (US) | 1976-12-14 | — | — | US | disclosed |
| US-3944607-A | Herbicidal N-(N'-alkynylcarbamylmethyl)-2,6-dialkyl-α-haloacetanilides | CHEVRON RESEARCH COMPANY (US) | 1976-03-16 | — | — | US | disclosed |