⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL124857 | 0.79 | GFER (0.31) | — | |
| SCHEMBL129012 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL126257 | 0.72 | HPD (0.32) | — | |
| SCHEMBL123947 | 0.72 | HPD (0.40) | — | |
| SCHEMBL124635 | 0.70 | HPD (0.36) | — | |
| SCHEMBL126861 | 0.69 | HPGDS (0.35) | — | |
| SCHEMBL125127 | 0.69 | HPD (0.33) | — | |
| SCHEMBL125072 | 0.67 | — | — | |
| SCHEMBL123990 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL127612 | 0.64 | HCAR2 (0.32) | — |
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-8461083-B2 | Herbicidal compounds | SYNGENTA LIMITED (GB) | 2013-06-11 | — | — | US | disclosed |
| EP-2265120-B1 | HERBICIDAL COUMPOUNDS | SYNGENTA LTD (GB) | 2012-03-07 | — | — | EP | disclosed |
| US-20110021352-A1 | HERBICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION, INC. (US) | 2011-01-27 | — | — | US | disclosed |