⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4515349 | 1.00 | — | — | |
| SCHEMBL4515352 | 1.00 | — | — | |
| SCHEMBL2584743 | 0.86 | P2RX7 (0.32) | — | |
| SCHEMBL2590330 | 0.78 | — | — | |
| SCHEMBL2584708 | 0.76 | — | — | |
| SCHEMBL2584745 | 0.75 | — | — | |
| SCHEMBL2586471 | 0.74 | — | — | |
| SCHEMBL4514287 | 0.73 | HTT (0.33) | — | |
| SCHEMBL4520831 | 0.73 | HTT (0.33) | — | |
| SCHEMBL4514289 | 0.73 | HTT (0.33) | — |
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-1953158-B1 | BICYCLIC CINNAMIDE COMPOUND | EISAI R&D MAN CO LTD (JP) | 2012-09-12 | — | — | EP | disclosed |
| EP-1953158-A1 | BICYCLIC CINNAMIDE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2008-08-06 | — | — | EP | disclosed |