⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9691793 | 0.99 | — | — | |
| Iodide SCHEMBL9693303 | 0.93 | — | — | |
| Iodide SCHEMBL9693219 | 0.93 | — | — | |
| SCHEMBL9693363 | 0.90 | — | — | |
| Iodide SCHEMBL9693996 | 0.90 | — | — | |
| Iodide SCHEMBL9693943 | 0.84 | GMNN (0.50) | — | |
| SCHEMBL9694237 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL9693299 | 0.83 | — | — | |
| Iodide SCHEMBL9693264 | 0.83 | — | — | |
| SCHEMBL8538219 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0157609-B1 | LIPID DERIVATIVES THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1992-10-14 | — | — | EP | claimed |
| 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 | claimed |