⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12371588 | 1.00 | — | — | |
| SCHEMBL12371586 | 0.93 | TNF (0.31) | — | |
| SCHEMBL13296756 | 0.93 | TNF (0.31) | — | |
| SCHEMBL12371585 | 0.80 | MAPK1 (0.38) | — | |
| SCHEMBL12396682 | 0.80 | MAPK1 (0.38) | — | |
| SCHEMBL13296743 | 0.80 | MAPK1 (0.38) | — | |
| SCHEMBL12371587 | 0.80 | MAPK1 (0.38) | — | |
| SCHEMBL12399972 | 0.80 | MAPK1 (0.33) | — | |
| SCHEMBL13296750 | 0.79 | GBA1 (0.33) | — | |
| SCHEMBL12371589 | 0.79 | GBA1 (0.33) | — |
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-7737129-B2 | Substituted liposaccharides useful in the treatment and prevention of endotoxemia | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2010-06-15 | — | — | US | disclosed |
| US-20080214802-A1 | Substituted Liposaccharides Useful in the Treatment and Prevention of Endotoxemia | EISAI CO., LTD. (JP) | 2008-09-04 | — | — | US | disclosed |