⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2686685 | 0.76 | — | — | |
| SCHEMBL19085079 | 0.76 | — | — | |
| SCHEMBL19712453 | 0.76 | — | — | |
| SCHEMBL9269730 | 0.76 | — | — | |
| SCHEMBL9266325 | 0.76 | — | — | |
| SCHEMBL9265710 | 0.76 | — | — | |
| SCHEMBL8052993 | 0.76 | — | — | |
| SCHEMBL24299777 | 0.75 | — | — | |
| SCHEMBL14543908 | 0.75 | — | — | |
| SCHEMBL13428769 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247739-B1 | ((2S,4R)-4,6-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL CARBOXYLATE AND PROCESS FOR ITS PRODUCTION EMPLOYING A 2-DEOXYRIBOSE-5-PHOSPHATE ALDOLASE (DERA) | LEK PHARMACEUTICALS (SI) | 2018-05-16 | — | — | EP | disclosed |