⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4362806 | 0.83 | — | — | |
| SCHEMBL9316497 | 0.81 | — | — | |
| SCHEMBL10529974 | 0.76 | FDPS (0.35) | — | |
| SCHEMBL6967862 | 0.75 | — | — | |
| SCHEMBL10795904 | 0.74 | — | — | |
| SCHEMBL26351182 | 0.74 | EPHX1 (0.42) | — | |
| SCHEMBL23130425 | 0.72 | EPHX1 (0.45) | — | |
| SCHEMBL23129956 | 0.72 | EPHX1 (0.45) | — | |
| SCHEMBL14902963 | 0.72 | EPHX1 (0.45) | — | |
| SCHEMBL27274562 | 0.72 | FDPS (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1237879-A1 | PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-11 | — | — | EP | disclosed |
| WO-2001044204-A1 | PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-21 | — | — | WO | disclosed |