⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1509789 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL28606494 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL9113394 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL11974548 | 0.80 | SOAT1 (0.33) | — | |
| SCHEMBL4393364 | 0.78 | — | — | |
| SCHEMBL4393360 | 0.78 | — | — | |
| SCHEMBL14142784 | 0.78 | — | — | |
| SCHEMBL6932381 | 0.77 | CES1 (0.46) | — | |
| SCHEMBL8461565 | 0.77 | CES1 (0.46) | — | |
| SCHEMBL1088911 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8334408-B2 | Analogs of alpha galactosylceramide and uses thereof | LUDWIG INSTITUTE FOR CANCER RESEARCH (US) | 2012-12-18 | — | — | US | disclosed |
| US-20120269857-A1 | ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF | LUDWIG INSTITUTE FOR CANCER RESEARCH | 2012-10-25 | — | — | US | disclosed |
| US-8188313-B2 | Analogs of alpha galactosylceramide and uses thereof | THE UNIVERSITY OF BIRMINGHAM (GB) | 2012-05-29 | — | — | US | disclosed |
| US-20120034269-A1 | ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF | CERUNDOLO VINCENZO (GB) | 2012-02-09 | — | — | US | disclosed |
| US-7348173-B2 | Fatty-acid amide hydrolase | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-03-25 | — | — | US | disclosed |