⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7733646 | 0.80 | NPSR1 (0.33) | — | |
| SCHEMBL7252089 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL7251613 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL4612158 | 0.69 | NPSR1 (0.33) | — | |
| SCHEMBL3638544 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL4612162 | 0.69 | NPSR1 (0.33) | — | |
| SCHEMBL3505624 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL11782519 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL7737332 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL1326935 | 0.67 | ALDH1A1 (0.32) | — |
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 |