⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL133065 | 0.76 | — | — | |
| SCHEMBL10305771 | 0.76 | — | — | |
| SCHEMBL7193444 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL62499 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL23045021 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL63330 | 0.72 | — | — | |
| SCHEMBL13528590 | 0.69 | — | — | |
| SCHEMBL14068825 | 0.69 | — | — | |
| SCHEMBL1279895 | 0.69 | — | — | |
| SCHEMBL13567584 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016046078-A1 | HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-03-31 | — | — | WO | disclosed |
| EP-1704195-B1 | ADHESIVE MATERIAL | TESA SE (DE) | 2009-11-11 | — | — | EP | disclosed |