⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2270666 | 0.88 | — | — | |
| SCHEMBL2272504 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL2269764 | 0.75 | — | — | |
| SCHEMBL2100546 | 0.75 | — | — | |
| SCHEMBL3209687 | 0.73 | — | — | |
| SCHEMBL2273272 | 0.67 | — | — | |
| SCHEMBL2102146 | 0.67 | — | — | |
| SCHEMBL2099697 | 0.67 | — | — | |
| SCHEMBL27850604 | 0.67 | — | — | |
| SCHEMBL20328584 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1784196-B1 | CERAMIDE DERIVATIVES AS MODULATORS OF IMMUNITY AND AUTOIMMUNITY | ALBERT EINSTEIN COLLEGE MEDICINE YESHIVA UNIV (US) | 2016-12-21 | — | — | EP | disclosed |
| US-8022043-B2 | alpha -galactosylceramide; glycolipids; modulate NK T cells; autoimmune disease, cancer, type 1 diabetes | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2011-09-20 | — | — | US | disclosed |
| US-7772380-B2 | Ceramide derivatives as modulators of immunity and autoimmunity | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2010-08-10 | — | — | US | disclosed |
| WO-2008133801-A1 | CERAMIDE DERIVATIVES AS MODULATORS OF IMMUNITY AND AUTOIMMUNITY | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2008-11-06 | — | — | WO | disclosed |
| US-20070238673-A1 | Ceramide derivatives as modulators of immunity and autoimmunity | ALBERT EINSTEIN COLLEGE OF MEDICINE | 2007-10-11 | — | — | US | disclosed |
| US-20060052316-A1 | Ceramide derivatives as modulators of immunity and autoimmunity | ALBERT EINSTEIN COLLEGE OF MEDICINE | 2006-03-09 | — | — | US | disclosed |