⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14135176 | 1.00 | — | — | |
| SCHEMBL1911319 | 1.00 | — | — | |
| SCHEMBL13178613 | 0.82 | — | — | |
| SCHEMBL13178620 | 0.82 | — | — | |
| SCHEMBL12435676 | 0.80 | — | — | |
| SCHEMBL441447 | 0.79 | — | — | |
| SCHEMBL12512545 | 0.78 | TRPA1 (0.32) | — | |
| SCHEMBL19080585 | 0.78 | PNP (0.31) | — | |
| Histidinol SCHEMBL65204 | 0.77 | — | — | |
| Histidinol SCHEMBL1580900 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3156410-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-04-19 | — | — | EP | disclosed |
| US-9428448-B2 | Compounds and methods of treating obesity | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2016-08-30 | — | — | US | disclosed |
| US-20140309273-A1 | COMPOUNDS AND METHODS OF TREATING OBESITY | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2014-10-16 | — | — | US | disclosed |