⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL215173 | 0.77 | — | — | |
| SCHEMBL11423875 | 0.77 | — | — | |
| SCHEMBL7718115 | 0.73 | SIGMAR1 (0.33) | — | |
| SCHEMBL8088690 | 0.71 | — | — | |
| SCHEMBL170783 | 0.71 | — | — | |
| SCHEMBL25926161 | 0.71 | SIGMAR1 (0.37) | — | |
| SCHEMBL13624572 | 0.69 | SIGMAR1 (0.39) | — | |
| SCHEMBL58831 | 0.69 | — | — | |
| SCHEMBL19846890 | 0.69 | SIGMAR1 (0.39) | — | |
| SCHEMBL2528044 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4224315-A | Pseudotrisaccharides and their medicinal use | BAYER AKTIENGESELLSCHAFT (DE) | 1980-09-23 | — | — | US | disclosed |
| EP-0000889-A1 | 3\"-N-Demethyl-3\"-N-substituted-4,6-di-0-(aminoglycosyl)-1,3-diaminocyclitols, methods for their preparation and their application as antibiotics | BAYER AG (DE) | 1979-03-07 | — | — | EP | disclosed |