⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1696599 | 0.84 | — | — | |
| SCHEMBL26138062 | 0.78 | — | — | |
| SCHEMBL24916697 | 0.78 | LGALS3 (0.33) | — | |
| SCHEMBL26179161 | 0.73 | — | — | |
| SCHEMBL6672251 | 0.72 | — | — | |
| SCHEMBL20306974 | 0.69 | SPHK2 (0.34) | — | |
| SCHEMBL11079165 | 0.69 | SPHK2 (0.34) | — | |
| SCHEMBL26138059 | 0.69 | SPHK2 (0.34) | — | |
| SCHEMBL18892589 | 0.69 | — | — | |
| SCHEMBL18892749 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576533-A1 | METHOD FOR THE PRODUCTION OF TETRAHYDROPYRANOLS SUBSTITUTED IN THE 2-POSITION | BASF SE (DE) | 2013-04-10 | — | — | EP | disclosed |
| CN-102906082-A | Method for production of tetrahydropyranols substituted in 2-position | BASF SE | 2013-01-30 | — | — | CN | disclosed |
| WO-2011147919-A1 | METHOD FOR THE PRODUCTION OF TETRAHYDROPYRANOLS SUBSTITUTED IN THE 2-POSITION | BASF SE (DE) | 2011-12-01 | — | — | WO | disclosed |