⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5071013 | 0.78 | — | — | |
| SCHEMBL15013124 | 0.78 | LMNA (0.35) | — | |
| SCHEMBL19887775 | 0.76 | — | — | |
| SCHEMBL28762556 | 0.72 | — | — | |
| SCHEMBL15013156 | 0.70 | LMNA (0.43) | — | |
| SCHEMBL15187792 | 0.69 | THRB (0.36) | — | |
| SCHEMBL15013162 | 0.68 | LMNA (0.48) | — | |
| SCHEMBL5536370 | 0.68 | LMNA (0.48) | — | |
| SCHEMBL23201 | 0.68 | LMNA (0.48) | — | |
| SCHEMBL1687120 | 0.68 | THRB (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004033462-A2 | METHOD OF PREPARING (3R, 3aS, 6aR) -3- HYDROXYHEXAHYDROFURO [2, 3-b] FURAN AND RELATED COMPOUNDS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2004-04-22 | — | — | WO | disclosed |