⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL755245 | 0.70 | — | — | |
| SCHEMBL305827 | 0.61 | CYP2A6 (0.38) | — | |
| Formic Acid SCHEMBL31165927 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL1426734 | 0.60 | ALDH1A1 (0.45) | — | |
| Formic Acid SCHEMBL31029236 | 0.60 | HDAC8 (0.50) | — | |
| Bromide SCHEMBL10716390 | 0.60 | ACHE (0.55) | — | |
| SCHEMBL18885010 | 0.60 | — | — | |
| SCHEMBL1425978 | 0.60 | — | — | |
| SCHEMBL5624808 | 0.60 | MAPT (0.45) | — | |
| SCHEMBL918365 | 0.59 | SLC22A2 (0.44) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0160252-B1 | Antibacterial compounds | Takeda Chemical Industries, Ltd. (JP) | 1992-08-26 | — | — | EP | disclosed |
| US-4946837-A | ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-08-07 | — | — | US | disclosed |
| EP-0164113-B1 | 3-PYRAZOLO(1,5-A)PYRIDINIUM CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1990-05-16 | — | — | EP | disclosed |
| US-4788185-A | Cephalosporin compounds | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-11-29 | — | — | US | disclosed |
| US-4665065-A | 3-pyrazolo(1,5-aαpyridinium cephem compounds | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-05-12 | — | — | US | disclosed |
| EP-0164122-A2 | Cephem compounds | Takeda Chemical Industries, Ltd. (JP) | 1985-12-11 | — | — | EP | disclosed |
| EP-0164113-A2 | 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-12-11 | — | — | EP | disclosed |
| EP-0160252-A2 | Antibacterial compounds | Takeda Chemical Industries, Ltd. (JP) | 1985-11-06 | — | — | EP | disclosed |