⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20375801 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL13158756 | 0.72 | — | — | |
| SCHEMBL20375478 | 0.68 | — | — | |
| SCHEMBL3483355 | 0.68 | PTGES (0.33) | — | |
| SCHEMBL22264131 | 0.65 | KMT2A (0.39) | — | |
| SCHEMBL764607 | 0.63 | — | — | |
| SCHEMBL1713122 | 0.63 | — | — | |
| SCHEMBL13497363 | 0.62 | — | — | |
| SCHEMBL11525962 | 0.62 | EHMT2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4243879 | 0.61 | — | — |
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-3227302-B1 | BICYCLIC COMPOUNDS AS PEST CONTROLLERS | BAYER CROPSCIENCE AG (DE) | 2018-07-11 | — | — | EP | disclosed |