⚠ 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 | |
|---|---|---|---|---|
| Paraquat SCHEMBL4895671 | 0.72 | SLC6A4 (0.77) | — | |
| Paraquat SCHEMBL21652 | 0.72 | SLC6A4 (0.77) | — | |
| Paraquat SCHEMBL9650240 | 0.69 | SLC6A4 (0.72) | — | |
| Paraquat SCHEMBL22370108 | 0.69 | SLC6A4 (0.72) | — | |
| Paraquat SCHEMBL11281521 | 0.69 | SLC6A4 (0.72) | — | |
| Paraquat SCHEMBL8677067 | 0.69 | SLC6A4 (0.72) | — | |
| SCHEMBL14596518 | 0.69 | SLC6A4 (0.72) | — | |
| Paraquat SCHEMBL21653 | 0.69 | SLC6A4 (0.72) | — | |
| SCHEMBL80079 | 0.69 | — | — | |
| Paraquat SCHEMBL8331549 | 0.69 | SLC6A4 (0.72) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0153709-A2 | Novel cephalosporin derivatives | MEIJI SEIKA KAISHA LTD. (JP) | 1985-09-04 | — | — | EP | claimed |
| EP-1086124-B1 | NOVEL CYCLOSPORINS | CHEM AG C (CH) | 2003-11-19 | — | — | EP | disclosed |
| EP-0892805-B1 | PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-07-02 | — | — | EP | disclosed |
| US-6583265-B1 | Compound for use in the prevention of viral and bacterial infections | C-CHEM AG (CH) | 2003-06-24 | — | — | US | disclosed |
| EP-0892805-A1 | PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997039002-A1 | PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-23 | — | — | WO | disclosed |