⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9221588 | 0.88 | — | — | |
| SCHEMBL9222926 | 0.81 | PTGES (0.31) | — | |
| SCHEMBL8948501 | 0.79 | LMNA (0.34) | — | |
| SCHEMBL8948507 | 0.78 | PTGES (0.35) | — | |
| SCHEMBL8304983 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL8948505 | 0.77 | — | — | |
| SCHEMBL8948578 | 0.77 | PTGES (0.32) | — | |
| SCHEMBL8196825 | 0.77 | — | — | |
| SCHEMBL8784895 | 0.77 | — | — | |
| SCHEMBL8821968 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-H1785-H | PRE- AND POST-EMERGENCE HERBICIDE | FMC CORPORATION (US) | 1999-02-02 | — | — | US | disclosed |