⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7733789 | 0.80 | — | — | |
| SCHEMBL5495240 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL7734543 | 0.71 | PKM (0.45) | — | |
| SCHEMBL7403616 | 0.70 | GRIN2D (0.36) | — | |
| SCHEMBL7401855 | 0.70 | GRIN2D (0.36) | — | |
| SCHEMBL7400856 | 0.70 | GRIN2D (0.36) | — | |
| SCHEMBL3841842 | 0.69 | — | — | |
| SCHEMBL6354923 | 0.68 | PKM (0.47) | — | |
| SCHEMBL4437737 | 0.68 | NPFFR1 (0.31) | — | |
| SCHEMBL960382 | 0.67 | GRIN2D (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0990634-B1 | ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES | DAICEL CHEM (JP) | 2013-04-10 | — | — | EP | disclosed |
| US-6429314-B1 | USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-08-06 | — | — | US | disclosed |
| EP-0990634-A1 | ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES | Daicel Chemical Industries, Ltd. (JP) | 2000-04-05 | — | — | EP | disclosed |