⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16975834 | 0.78 | — | — | |
| SCHEMBL11963680 | 0.73 | GLA (0.32) | — | |
| SCHEMBL2040835 | 0.73 | — | — | |
| SCHEMBL1653190 | 0.73 | — | — | |
| SCHEMBL11963678 | 0.71 | AXL (0.31) | — | |
| SCHEMBL16975836 | 0.70 | BACE1 (0.32) | — | |
| SCHEMBL12239274 | 0.70 | HDAC3 (0.32) | — | |
| SCHEMBL11963674 | 0.69 | RAB9A (0.32) | — | |
| SCHEMBL12239249 | 0.69 | — | — | |
| SCHEMBL12239201 | 0.69 | OPRL1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9051300-B2 | Herbicides | SYNGENTA LIMITED (GB) | 2015-06-09 | — | — | US | disclosed |
| US-20120202691-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-08-09 | — | — | US | disclosed |