⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10418670 | 0.82 | GAA (0.46) | — | |
| SCHEMBL7853414 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL22189785 | 0.80 | AOC1 (0.61) | — | |
| SCHEMBL4353616 | 0.79 | — | — | |
| SCHEMBL6170187 | 0.77 | — | — | |
| SCHEMBL844596 | 0.77 | — | — | |
| SCHEMBL17266359 | 0.77 | — | — | |
| SCHEMBL30532230 | 0.77 | — | — | |
| SCHEMBL3291159 | 0.77 | — | — | |
| SCHEMBL844103 | 0.77 | — | — |
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-20140179921-A1 | CHEMICAL COMPOUNDS | SYNGENTA CROP PROTECTION LLC (US) | 2014-06-26 | — | — | US | disclosed |
| US-8338443-B2 | Chemical compounds | SYNGENTA CROP PROTECTION LLC (US) | 2012-12-25 | — | — | US | disclosed |
| US-20090118295-A1 | CHEMICAL COMPOUNDS | SYNGENTA CROP PROTECTION, INC (US) | 2009-05-07 | — | — | US | disclosed |