⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8745412 | 0.74 | — | — | |
| SCHEMBL28295821 | 0.73 | — | — | |
| SCHEMBL16225719 | 0.71 | — | — | |
| SCHEMBL16226177 | 0.71 | — | — | |
| SCHEMBL2151374 | 0.71 | — | — | |
| SCHEMBL25881700 | 0.71 | F10 (0.30) | — | |
| SCHEMBL283566 | 0.70 | — | — | |
| SCHEMBL283567 | 0.70 | — | — | |
| SCHEMBL1441758 | 0.70 | — | — | |
| SCHEMBL31680277 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11247956-B2 | Catalytic production of 1,2,5,6-hexanetetrol from levoglucosenone | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2022-02-15 | — | — | US | disclosed |
| US-20210130269-A1 | CATALYTIC PRODUCTION OF 1,2,5,6-HEXANETETROL FROM LEVOGLUCOSENONE | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2021-05-06 | — | — | US | disclosed |