⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12762789 | 1.00 | — | — | |
| SCHEMBL12754640 | 0.92 | — | — | |
| SCHEMBL4723297 | 0.82 | — | — | |
| SCHEMBL12944616 | 0.82 | — | — | |
| SCHEMBL12944470 | 0.82 | — | — | |
| SCHEMBL2567301 | 0.80 | — | — | |
| SCHEMBL15524471 | 0.80 | — | — | |
| SCHEMBL8076557 | 0.78 | — | — | |
| SCHEMBL7128088 | 0.78 | — | — | |
| SCHEMBL14648927 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150246938-A1 | NOVEL OLEFIN DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2015-09-03 | — | — | US | disclosed |