⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6400997 | 1.00 | — | — | |
| SCHEMBL6401004 | 1.00 | — | — | |
| SCHEMBL7824333 | 0.69 | — | — | |
| SCHEMBL6398938 | 0.67 | AKR1C3 (0.39) | — | |
| SCHEMBL6398934 | 0.67 | AKR1C3 (0.39) | — | |
| SCHEMBL1986587 | 0.67 | — | — | |
| SCHEMBL6403607 | 0.67 | MAP3K7 (0.33) | — | |
| SCHEMBL6403609 | 0.67 | MAP3K7 (0.33) | — | |
| SCHEMBL6398935 | 0.67 | CA1 (0.33) | — | |
| SCHEMBL13019275 | 0.67 | ALDH1A1 (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6949585-B2 | Cyclooctanone derivatives and cyclodecanone derivative, and use thereof | EISAI CO., LTD. (JP) | 2005-09-27 | — | — | US | claimed |
| US-20040082805-A1 | Cyclooctanone derivatives and cyclodecanone derivative, and use thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-04-29 | — | — | US | claimed |
| EP-1375465-A9 | CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF | Eisai Co., Ltd. (JP) | 2004-04-14 | — | — | EP | claimed |
| EP-1375479-A1 | PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | Eisai Co., Ltd. (JP) | 2004-01-02 | — | — | EP | claimed |
| US-6949585-B2 | Cyclooctanone derivatives and cyclodecanone derivative, and use thereof | EISAI CO., LTD. (JP) | 2005-09-27 | — | — | US | disclosed |
| US-20040082805-A1 | Cyclooctanone derivatives and cyclodecanone derivative, and use thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-04-29 | — | — | US | disclosed |
| EP-1375465-A9 | CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF | Eisai Co., Ltd. (JP) | 2004-04-14 | — | — | EP | disclosed |
| EP-1375479-A1 | PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | Eisai Co., Ltd. (JP) | 2004-01-02 | — | — | EP | disclosed |