⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28050281 | 0.72 | LMNA (0.37) | — | |
| SCHEMBL2629384 | 0.70 | — | — | |
| SCHEMBL9593711 | 0.69 | GPR84 (0.40) | — | |
| SCHEMBL8685228 | 0.67 | CNR2 (0.32) | — | |
| SCHEMBL1134519 | 0.67 | CNR1 (0.41) | — | |
| SCHEMBL12794631 | 0.67 | HDAC8 (0.32) | — | |
| SCHEMBL8800727 | 0.67 | — | — | |
| SCHEMBL9457578 | 0.65 | — | — | |
| SCHEMBL9617684 | 0.65 | — | — | |
| SCHEMBL6169363 | 0.64 | LMNA (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050202973-A1 | Aryl-alkyne compounds as herbicides | SYNGENTA CROP PROTECTION, INC. | 2005-09-15 | — | — | US | disclosed |
| EP-1507768-A1 | ARYL-ALKYNE COMPOUNDS AS HERBICIDES | Syngenta Participations AG (CH) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003087067-A1 | ARYL-ALKYNE COMPOUNDS AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2003-10-23 | — | — | WO | disclosed |