⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9231897 | 0.87 | CSNK2A1 (0.30) | — | |
| SCHEMBL9643880 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL10723013 | 0.70 | — | — | |
| SCHEMBL9143751 | 0.68 | MEN1 (0.33) | — | |
| SCHEMBL4824847 | 0.66 | GABRA5 (0.47) | — | |
| SCHEMBL9876560 | 0.64 | — | — | |
| SCHEMBL17680549 | 0.64 | — | — | |
| SCHEMBL8377998 | 0.62 | HSD17B10 (0.40) | — | |
| SCHEMBL8377997 | 0.62 | HSD17B10 (0.40) | — | |
| SCHEMBL10332572 | 0.62 | ALDH1A1 (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5409919-A | Pharmaceutically acceptable salt of 7B-[2-(5-amino-1,2,4-thio-diazol-3-yl)-2(Z)-metho-xyiminoacetamido]-3-[(imidazo[1,2-b]pyridazinium-1-yl)methyl]-3-cephem-4-carboxylate and composition comprising same | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-04-25 | — | — | US | disclosed |
| EP-0203271-B1 | ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-05-26 | — | — | EP | disclosed |
| EP-0160252-B1 | Antibacterial compounds | Takeda Chemical Industries, Ltd. (JP) | 1992-08-26 | — | — | EP | disclosed |
| US-4962100-A | 3-Condensed imidazolium-cephem compounds | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-10-09 | — | — | US | disclosed |
| US-4864022-A | 3-Condensed imidazolium-cephem compounds | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-09-05 | — | — | US | disclosed |
| EP-0203271-A2 | Antibacterial compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1986-12-03 | — | — | EP | disclosed |
| EP-0160252-A2 | Antibacterial compounds | Takeda Chemical Industries, Ltd. (JP) | 1985-11-06 | — | — | EP | disclosed |