⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL468928 | 0.79 | KCNQ3 (0.33) | — | |
| SCHEMBL13261919 | 0.70 | ELAVL1 (0.36) | — | |
| SCHEMBL13065042 | 0.69 | MAOA (0.32) | — | |
| SCHEMBL468926 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL468885 | 0.68 | MAOA (0.30) | — | |
| SCHEMBL11207769 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL431343 | 0.65 | MAPT (0.32) | — | |
| SCHEMBL10244065 | 0.65 | MAOA (0.33) | — | |
| SCHEMBL12134138 | 0.64 | RORC (0.33) | — | |
| SCHEMBL12134165 | 0.64 | NR2F2 (0.30) | — |
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-20120065066-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-03-15 | — | — | US | disclosed |