⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6647291 | 0.75 | POLB (0.50) | — | |
| Formaldehyde SCHEMBL28861115 | 0.72 | POLB (0.48) | — | |
| SCHEMBL10726371 | 0.66 | MAPT (0.41) | — | |
| SCHEMBL4275041 | 0.66 | NQO1 (0.48) | — | |
| SCHEMBL7436725 | 0.65 | — | — | |
| SCHEMBL10369012 | 0.65 | GAA (0.40) | — | |
| SCHEMBL4273200 | 0.64 | ATAD2 (0.44) | — | |
| SCHEMBL17604976 | 0.64 | — | — | |
| SCHEMBL161148 | 0.64 | ATAD2 (0.54) | — | |
| SCHEMBL1144952 | 0.64 | ATAD2 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017023515-A1 | CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-02-09 | — | — | WO | disclosed |