⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10327399 | 0.89 | DAO (0.33) | — | |
| SCHEMBL10327208 | 0.89 | ELANE (0.30) | — | |
| SCHEMBL10326959 | 0.89 | ELANE (0.32) | — | |
| SCHEMBL10326960 | 0.88 | ELANE (0.32) | — | |
| SCHEMBL10327036 | 0.86 | ACHE (0.33) | — | |
| SCHEMBL10327121 | 0.86 | ELANE (0.31) | — | |
| SCHEMBL10327126 | 0.85 | ELANE (0.30) | — | |
| SCHEMBL1652524 | 0.84 | ELANE (0.37) | — | |
| SCHEMBL10327304 | 0.83 | ELANE (0.33) | — | |
| SCHEMBL12239434 | 0.83 | ACHE (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791303-B2 | Herbicides | SYNGENTA LIMITED (GB) | 2014-07-29 | — | — | US | disclosed |
| US-8791303-B2 | Herbicides | SYNGENTA LIMITED (GB) | 2014-07-29 | — | — | US | disclosed |
| US-20120178623-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120178623-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-07-12 | — | — | US | disclosed |