⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12604242 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL17682895 | 0.80 | LMNA (0.35) | — | |
| SCHEMBL20019588 | 0.79 | — | — | |
| SCHEMBL12277432 | 0.79 | — | — | |
| SCHEMBL24719300 | 0.78 | LMNA (0.30) | — | |
| SCHEMBL14647073 | 0.76 | L3MBTL1 (0.35) | — | |
| SCHEMBL11932967 | 0.74 | LMNA (0.37) | — | |
| SCHEMBL13644871 | 0.74 | — | — | |
| SCHEMBL12009796 | 0.74 | — | — | |
| SCHEMBL28208228 | 0.73 | — | — |
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-8252909-B2 | Synthetic C-glycolipid and its use for treating cancer, infectious diseases, and autoimmune diseases | NEW YORK UNIVERSITY (US) | 2012-08-28 | — | — | US | disclosed |
| US-7273852-B2 | Synthetic C-glycolipid and its use for treating cancer, infectious diseases and autoimmune diseases | THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2007-09-25 | — | — | US | disclosed |