⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29374 | 0.75 | — | — | |
| SCHEMBL1335833 | 0.75 | TSHR (0.56) | — | |
| SCHEMBL10010655 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL21409742 | 0.73 | — | — | |
| Methane SCHEMBL29017317 | 0.73 | — | — | |
| SCHEMBL29186436 | 0.73 | — | — | |
| SCHEMBL129132 | 0.71 | MGAM (0.52) | — | |
| SCHEMBL13241991 | 0.71 | TSHR (0.50) | — | |
| SCHEMBL18741365 | 0.71 | — | — | |
| SCHEMBL3903722 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4956358-A | ANTIBIOTICS, BACTERICIDES, CEPHALOSPORINS AND ISOCEPHALOSPORINS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-09-11 | — | — | US | disclosed |
| US-4891427-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-01-02 | — | — | US | disclosed |
| US-4851422-A | Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-07-25 | — | — | US | disclosed |
| EP-0219923-A1 | Antibiotic derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1987-04-29 | — | — | EP | disclosed |