⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11677206 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL21352467 | 0.78 | — | — | |
| SCHEMBL27834 | 0.73 | — | — | |
| SCHEMBL18694667 | 0.73 | EPHX1 (0.35) | — | |
| SCHEMBL11796233 | 0.70 | — | — | |
| SCHEMBL11793845 | 0.70 | — | — | |
| SCHEMBL27628786 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL18694838 | 0.70 | EPHX1 (0.33) | — | |
| SCHEMBL13241885 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL13448557 | 0.65 | EPHX1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9006145-B2 | Agrochemical formulations of microcapsules for compounds containing carboxamide groups | FMC CORPORATION | 2015-04-14 | — | — | US | disclosed |
| US-20120157315-A1 | AGROCHEMICAL FORMULATIONS OF MICROCAPSULES FOR COMPOUNDS CONTAINING CARBOXAMIDE GROUPS | FMC CORPORATION | 2012-06-21 | — | — | US | disclosed |