⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2096716 | 1.00 | — | — | |
| SCHEMBL11252375 | 1.00 | — | — | |
| SCHEMBL5605826 | 1.00 | — | — | |
| SCHEMBL9716305 | 1.00 | — | — | |
| SCHEMBL2089615 | 0.97 | — | — | |
| SCHEMBL1935946 | 0.93 | — | — | |
| SCHEMBL6649902 | 0.93 | — | — | |
| SCHEMBL11251650 | 0.93 | — | — | |
| SCHEMBL11248877 | 0.91 | — | — | |
| SCHEMBL6651495 | 0.91 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5103007-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-07 | — | — | US | disclosed |
| US-5081245-A | Selective antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-14 | — | — | US | disclosed |
| EP-0378763-A1 | Lipids, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-07-25 | — | — | EP | disclosed |
| US-4920134-A | ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-04-24 | — | — | US | disclosed |
| EP-0304244-A2 | Propanediol derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-22 | — | — | EP | disclosed |
| EP-0302744-A2 | Glycerol derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-08 | — | — | EP | disclosed |