⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19152161 | 0.80 | PARP1 (0.36) | — | |
| SCHEMBL11007100 | 0.63 | — | — | |
| SCHEMBL7096286 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL19597604 | 0.60 | — | — | |
| SCHEMBL13357685 | 0.57 | — | — | |
| SCHEMBL28059053 | 0.54 | ALDH1A1 (0.42) | — | |
| SCHEMBL1262124 | 0.52 | — | — | |
| SCHEMBL30189633 | 0.51 | — | — | |
| SCHEMBL14755756 | 0.51 | — | — | |
| SCHEMBL2817706 | 0.51 | NAPRT (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3402797-B1 | HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2020-02-19 | — | — | EP | disclosed |