⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19231631 | 0.83 | CYP2C9 (0.36) | — | |
| SCHEMBL11881418 | 0.78 | — | — | |
| SCHEMBL16234794 | 0.75 | OR51E2 (0.53) | — | |
| SCHEMBL59986 | 0.75 | — | — | |
| SCHEMBL15478 | 0.75 | — | — | |
| SCHEMBL439347 | 0.75 | — | — | |
| SCHEMBL3262837 | 0.75 | OR51E2 (0.53) | — | |
| SCHEMBL28938918 | 0.74 | TET2 (0.31) | — | |
| SCHEMBL18654263 | 0.74 | CYP2C9 (0.33) | — | |
| SCHEMBL11877941 | 0.74 | GPR84 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0019843-B1 | SISOMICIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |
| US-4312859-A | ANTIBIOTICS, BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1982-01-26 | — | — | US | disclosed |
| EP-0019843-A1 | Sisomicin derivatives, process for their preparation and their use as medicines | BAYER AG (DE) | 1980-12-10 | — | — | EP | disclosed |