⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL597793 | 0.72 | — | — | |
| SCHEMBL19158064 | 0.72 | — | — | |
| SCHEMBL7963336 | 0.72 | CYP3A4 (0.31) | — | |
| SCHEMBL3610224 | 0.72 | — | — | |
| SCHEMBL27626774 | 0.70 | — | — | |
| SCHEMBL8304404 | 0.69 | — | — | |
| SCHEMBL6097533 | 0.69 | — | — | |
| SCHEMBL7963312 | 0.68 | HSD17B10 (0.32) | — | |
| SCHEMBL1263275 | 0.68 | — | — | |
| SCHEMBL3094632 | 0.66 | — | — |
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-6204222-B1 | SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-20 | — | — | US | disclosed |