⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7200824 | 0.85 | GRIK1 (0.50) | — | |
| SCHEMBL17822475 | 0.83 | CA1 (0.45) | — | |
| SCHEMBL2479818 | 0.79 | CA2 (0.62) | — | |
| SCHEMBL3104177 | 0.79 | — | — | |
| SCHEMBL3104169 | 0.79 | — | — | |
| SCHEMBL8018512 | 0.79 | — | — | |
| SCHEMBL6724837 | 0.77 | — | — | |
| SCHEMBL6724835 | 0.77 | — | — | |
| SCHEMBL8653184 | 0.77 | — | — | |
| SCHEMBL18737 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020099404-A1 | HERBICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2020-05-22 | — | — | WO | disclosed |
| US-20120071329-A1 | METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | US | disclosed |