⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6334901 | 1.00 | — | — | |
| SCHEMBL6726596 | 0.83 | — | — | |
| SCHEMBL9265994 | 0.74 | CCR5 (0.31) | — | |
| SCHEMBL10330199 | 0.67 | — | — | |
| SCHEMBL10749094 | 0.67 | — | — | |
| SCHEMBL4790835 | 0.66 | — | — | |
| SCHEMBL4911799 | 0.66 | — | — | |
| SCHEMBL11970800 | 0.63 | — | — | |
| SCHEMBL6411494 | 0.61 | — | — | |
| SCHEMBL6411507 | 0.61 | — | — |
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-6919465-B2 | 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) | 2005-07-19 | — | — | US | disclosed |
| US-20040127727-A1 | Method of preparing (3R, 3aS, 6aR) -3-hydroxyhexahydrofuro [2,3,-b] furan and related compounds | BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE | 2004-07-01 | — | — | US | disclosed |