⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11636254 | 0.79 | — | — | |
| SCHEMBL4549573 | 0.75 | — | — | |
| SCHEMBL4861622 | 0.74 | MEN1 (0.30) | — | |
| SCHEMBL9205718 | 0.72 | TLR8 (0.31) | — | |
| SCHEMBL7048553 | 0.70 | — | — | |
| SCHEMBL4854363 | 0.68 | NOX1 (0.30) | — | |
| SCHEMBL29006428 | 0.67 | — | — | |
| SCHEMBL18599211 | 0.67 | — | — | |
| SCHEMBL16252145 | 0.66 | — | — | |
| SCHEMBL8442377 | 0.66 | CES2 (0.30) | — |
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-7470671-B2 | Thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therapeutics | LABORATOIRE FOURNIER (FR) | 2008-12-30 | — | — | US | disclosed |
| US-20070054955-A1 | Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. | LABORATOIRES FOURNIER S.A. (FR) | 2007-03-08 | — | — | US | disclosed |