⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12770811 | 0.88 | — | — | |
| SCHEMBL12770857 | 0.82 | — | — | |
| SCHEMBL12770804 | 0.82 | — | — | |
| SCHEMBL12770791 | 0.79 | — | — | |
| SCHEMBL13156559 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL12770807 | 0.73 | — | — | |
| SCHEMBL12770856 | 0.69 | — | — | |
| SCHEMBL12770794 | 0.69 | — | — | |
| SCHEMBL12552203 | 0.67 | — | — | |
| SCHEMBL12554546 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7915306-B2 | For therapy of inflammatory or autoimmune disorders | EISAI CO., LTD. (JP) | 2011-03-29 | — | — | US | disclosed |