⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28505881 | 1.00 | — | — | |
| SCHEMBL2610830 | 0.81 | — | — | |
| SCHEMBL15150557 | 0.77 | — | — | |
| SCHEMBL1844819 | 0.77 | — | — | |
| SCHEMBL27513891 | 0.77 | — | — | |
| SCHEMBL23897024 | 0.77 | — | — | |
| SCHEMBL9319397 | 0.77 | — | — | |
| SCHEMBL21401004 | 0.77 | KDM4E (0.37) | — | |
| SCHEMBL12179821 | 0.75 | KDM4E (0.37) | — | |
| SCHEMBL8683323 | 0.74 | KDM4E (0.43) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3538523-B1 | PYRIMIDINONE DERIVATIVES AS CDC7 INHIBITORS | CANCER RESEARCH TECH LTD (GB) | 2021-05-19 | — | — | EP | disclosed |
| EP-0157609-B1 | LIPID DERIVATIVES THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1992-10-14 | — | — | EP | disclosed |
| US-5025005-A | Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-18 | — | — | US | disclosed |
| US-4737518-A | ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-04-12 | — | — | US | disclosed |
| EP-0157609-A2 | Lipid derivatives their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-10-09 | — | — | EP | disclosed |