⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4512193 | 1.00 | — | — | |
| SCHEMBL2581259 | 0.88 | — | — | |
| SCHEMBL2581264 | 0.84 | — | — | |
| SCHEMBL2581262 | 0.84 | — | — | |
| SCHEMBL4511650 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL4511643 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL4510749 | 0.82 | MEN1 (0.36) | — | |
| SCHEMBL4510755 | 0.82 | MEN1 (0.36) | — | |
| SCHEMBL4514271 | 0.81 | — | — | |
| SCHEMBL4514264 | 0.81 | — | — |
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 4 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 |
| US-20090181945-A1 | TWO CYCLIC CINNAMIDE COMPOUND | KIMURA TEIJI | 2009-07-16 | — | — | US | disclosed |
| EP-1953158-A1 | BICYCLIC CINNAMIDE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2008-08-06 | — | — | EP | disclosed |
| US-20070117839-A1 | Two cyclic cinnamide compound | EISAI R&D MANAGEMENT CO., LTD. | 2007-05-24 | — | — | US | disclosed |