⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28519208 | 0.77 | — | — | |
| SCHEMBL23829911 | 0.77 | — | — | |
| SCHEMBL38663786 | 0.72 | — | — | |
| SCHEMBL21332434 | 0.70 | NLRP3 (0.45) | — | |
| SCHEMBL170169 | 0.69 | — | — | |
| SCHEMBL6069541 | 0.69 | — | — | |
| SCHEMBL878810 | 0.69 | — | — | |
| SCHEMBL241738 | 0.69 | — | — | |
| SCHEMBL7407105 | 0.69 | — | — | |
| SCHEMBL28109976 | 0.69 | — | — |
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-4525203-A | ((3,4,5,6-Tetrahydro-2H-pyran-2-yl)methoxy)oxabicycloalkane herbicides | SHELL OIL COMPANY (US) | 1985-06-25 | — | — | US | disclosed |