⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10906103 | 0.78 | — | — | |
| SCHEMBL1017223 | 0.76 | — | — | |
| SCHEMBL27687871 | 0.76 | — | — | |
| SCHEMBL10355003 | 0.72 | — | — | |
| SCHEMBL1964304 | 0.67 | — | — | |
| SCHEMBL1259545 | 0.67 | — | — | |
| SCHEMBL10071573 | 0.66 | — | — | |
| SCHEMBL1682635 | 0.66 | — | — | |
| SCHEMBL35990 | 0.66 | — | — | |
| SCHEMBL7274450 | 0.66 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001066522-A1 | ACYLATED PHENYL OR PYRIDINE HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-09-13 | — | — | WO | disclosed |