⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6044672 | 0.75 | — | — | |
| SCHEMBL192491 | 0.72 | — | — | |
| SCHEMBL22091 | 0.63 | — | — | |
| Water SCHEMBL10317431 | 0.58 | — | — | |
| Dimethylamine SCHEMBL9751033 | 0.58 | — | — | |
| Arsenic SCHEMBL28198999 | 0.58 | — | — | |
| Iodide SCHEMBL11779085 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL8529934 | 0.58 | KDM4E (1.00) | — | |
| Hydrochloric Acid SCHEMBL743762 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL9118581 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946093-B1 | FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE | ISAGRO SPA (IT) | 2002-08-28 | — | — | EP | disclosed |
| US-6228885-B1 | Fungicidal compositions based on (N-phenylacetyl-N-2,6-XYLYL)methyl alaninate | ISAGRO S.P.A. (IT) | 2001-05-08 | — | — | US | disclosed |
| EP-0843967-B1 | Use of Beta-aminopropionic acid derivatives as fungicides | ISAGRO RICERCA SRL (IT) | 2000-04-05 | — | — | EP | disclosed |
| EP-0946093-A2 | FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE | ISAGRO S.p.A. (IT) | 1999-10-06 | — | — | EP | disclosed |
| EP-0944576-A1 | STROBILURINE ANALOGUE COMPOUNDS WITH FUNGICIDAL ACTIVITY | ISAGRO RICERCA S.r.l. (IT) | 1999-09-29 | — | — | EP | disclosed |
| US-5856311-A | Derivatives of β-aminopropionic acid with a fungicidal activity | ISAGRO RICERCA SRL (IT) | 1999-01-05 | — | — | US | disclosed |
| WO-1998026654-A2 | FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE | ISAGRO S.P.A. (IT) | 1998-06-25 | — | — | WO | disclosed |
| EP-0843967-A1 | Use of Beta-aminopropionic acid derivatives as fungicides | ISAGRO RICERCA S.r.l. (IT) | 1998-05-27 | — | — | EP | disclosed |
| WO-1998021174-A1 | STROBILURINE ANALOGUE COMPOUNDS WITH FUNGICIDAL ACTIVITY | ISAGRO RICERCA S.R.L. (IT) | 1998-05-22 | — | — | WO | disclosed |
| WO-1998015180-A1 | FUNGICIDAL COMPOSITIONS AND THEIR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI | ISAGRO S.P.A. (IT) | 1998-04-16 | — | — | WO | disclosed |
| EP-0718280-A2 | Derivatives of beta-aminopropionic acid with a fungicidal activity | ISAGRO RICERCA S.r.l. (IT) | 1996-06-26 | — | — | EP | disclosed |