⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13034828 | 0.81 | — | — | |
| SCHEMBL13899619 | 0.75 | HMGCR (0.33) | — | |
| SCHEMBL13057394 | 0.73 | — | — | |
| SCHEMBL16328010 | 0.67 | — | — | |
| SCHEMBL13243629 | 0.67 | — | — | |
| SCHEMBL13034848 | 0.66 | — | — | |
| SCHEMBL19850946 | 0.66 | — | — | |
| SCHEMBL22201020 | 0.66 | — | — | |
| SCHEMBL15830877 | 0.61 | — | — | |
| SCHEMBL13057379 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7834114-B2 | Polycyclic ester containing cyano group and lactone skeleton | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| US-7750101-B2 | Polycyclic ester containing cyano group and lactone skeleton | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2010-07-06 | — | — | US | disclosed |
| US-20100081778-A1 | POLYCYCLIC ESTER CONTAINING CYANO GROUP AND LACTONE SKELETON | INOUE KEIZO | 2010-04-01 | — | — | US | disclosed |
| US-20080319160-A1 | Polycyclic Ester Containing Cyano Group and Lactone Skeleton | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2008-12-25 | — | — | US | disclosed |