⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2488646 | 0.79 | — | — | |
| SCHEMBL3072651 | 0.79 | — | — | |
| SCHEMBL22030106 | 0.78 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL2755807 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL7963381 | 0.75 | ADORA3 (0.45) | — | |
| SCHEMBL9792948 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL7598860 | 0.72 | GAA (0.38) | — | |
| SCHEMBL3066409 | 0.71 | — | — | |
| SCHEMBL9792943 | 0.71 | — | — | |
| SCHEMBL21258901 | 0.71 | CDK2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3113618-B1 | HETEROCYCLIC COMPOUNDS AS PEST CONTROLLERS | BAYER CROPSCIENCE AG (DE) | 2018-07-04 | — | — | EP | disclosed |