⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL314383 | 1.00 | — | — | |
| SCHEMBL314591 | 0.87 | MKNK1 (0.38) | — | |
| SCHEMBL314590 | 0.87 | MKNK1 (0.38) | — | |
| SCHEMBL2410903 | 0.86 | IKBKB (0.37) | — | |
| SCHEMBL2410907 | 0.86 | IKBKB (0.37) | — | |
| SCHEMBL2139651 | 0.79 | CYP1A1 (0.35) | — | |
| SCHEMBL2139647 | 0.79 | CYP1A1 (0.35) | — | |
| SCHEMBL315003 | 0.79 | — | — | |
| SCHEMBL315002 | 0.79 | — | — | |
| SCHEMBL2142568 | 0.78 | — | — |
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-8093394-B2 | Derivatives of 5-thioxylopyranose and use of same for treatment | LABORATOIRES FOURNIER S.A. (FR) | 2012-01-10 | — | — | US | disclosed |
| US-20090182013-A1 | Derivatives of 5-Thioxylopyranose and Use of Same for Treatment | LABORATOIRES FOURNIER S.A. (FR) | 2009-07-16 | — | — | US | disclosed |