⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12744810 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL8520837 | 0.69 | — | — | |
| SCHEMBL12744800 | 0.69 | — | — | |
| SCHEMBL11722549 | 0.65 | — | — | |
| SCHEMBL11722542 | 0.65 | — | — | |
| SCHEMBL13199461 | 0.64 | — | — | |
| SCHEMBL35542 | 0.64 | — | — | |
| SCHEMBL35543 | 0.64 | — | — | |
| SCHEMBL112566 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL18245254 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110071141-A1 | Pesticidial Condensed-Ring Aryl Compounds | BAYER CROPSCIENCE AG | 2011-03-24 | — | — | US | disclosed |