⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16384663 | 0.77 | ADH1B (0.41) | — | |
| SCHEMBL13351298 | 0.76 | — | — | |
| SCHEMBL19181010 | 0.75 | — | — | |
| SCHEMBL23965539 | 0.74 | — | — | |
| SCHEMBL17449779 | 0.73 | ADH1B (0.39) | — | |
| SCHEMBL5878360 | 0.73 | KDM4E (0.61) | — | |
| SCHEMBL19374291 | 0.72 | — | — | |
| SCHEMBL1002824 | 0.71 | — | — | |
| SCHEMBL3853943 | 0.70 | — | — | |
| SCHEMBL379255 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2809660-B1 | MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 | ENSEMBLE THERAPEUTICS CORP (US) | 2016-01-20 | — | — | EP | disclosed |
| US-20150005319-A1 | MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 | ENSEMBLE THERAPEUTICS CORPORATION | 2015-01-01 | — | — | US | disclosed |