⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15108060 | 0.94 | — | — | |
| SCHEMBL10157085 | 0.78 | — | — | |
| SCHEMBL10878117 | 0.74 | — | — | |
| SCHEMBL28884521 | 0.74 | — | — | |
| SCHEMBL25275705 | 0.73 | — | — | |
| SCHEMBL11686223 | 0.72 | — | — | |
| SCHEMBL11691449 | 0.72 | — | — | |
| SCHEMBL11688779 | 0.72 | — | — | |
| SCHEMBL18526458 | 0.72 | — | — | |
| SCHEMBL3118149 | 0.72 | — | — |
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-4240985-A | FROM 2,2-DIALKYLTETRAHYDROPYRANS WITH ACID CATALYST | ETHYL CORPORATION (US) | 1980-12-23 | — | — | US | disclosed |