⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29973101 | 0.78 | — | — | |
| SCHEMBL486623 | 0.78 | — | — | |
| SCHEMBL1038113 | 0.72 | — | — | |
| SCHEMBL1748126 | 0.70 | — | — | |
| SCHEMBL145359 | 0.67 | — | — | |
| SCHEMBL934285 | 0.67 | — | — | |
| SCHEMBL1038209 | 0.67 | — | — | |
| SCHEMBL10672059 | 0.67 | — | — | |
| SCHEMBL202991 | 0.67 | — | — | |
| SCHEMBL177915 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050038072-A1 | Nitrogeneous cyclic ketone derivative, process for producing the same, and use | TAKEDA CHEMICAL INDUSTRIES, LTD. | 2005-02-17 | — | — | US | disclosed |
| EP-1460062-A1 | NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE | Takeda Chemical Industries, Ltd. (JP) | 2004-09-22 | — | — | EP | disclosed |
| US-4855233-A | Process for carrying out enzymatic reactions in an organic solvent | SOCIETE NATIONALE ELF AQUITAINE (FR) | 1989-08-08 | — | — | US | disclosed |