⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10237919 | 0.85 | RAB9A (0.38) | — | |
| SCHEMBL13058546 | 0.83 | — | — | |
| SCHEMBL10237934 | 0.83 | RAB9A (0.40) | — | |
| SCHEMBL10238020 | 0.83 | PTGS2 (0.41) | — | |
| SCHEMBL10237965 | 0.83 | RARA (0.31) | — | |
| SCHEMBL10237930 | 0.83 | NPC1 (0.34) | — | |
| SCHEMBL10238017 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL10238083 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL10238085 | 0.81 | BRD4 (0.32) | — | |
| SCHEMBL10238024 | 0.81 | ALOX5 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2176222-B1 | NOVEL HERBICIDES | SYNGENTA LTD (GB) | 2014-11-05 | — | — | EP | disclosed |
| US-8541594-B2 | — | — | 2013-09-24 | — | — | US | disclosed |
| US-8541594-B2 | — | — | 2013-09-24 | — | — | US | disclosed |
| US-20120040826-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2012-02-16 | — | — | US | disclosed |
| US-20120040826-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2012-02-16 | — | — | US | disclosed |
| WO-2009015877-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2009-02-05 | — | — | WO | disclosed |