⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3190326 | 0.83 | EPHX1 (0.61) | — | |
| SCHEMBL499170 | 0.81 | — | — | |
| SCHEMBL18117380 | 0.78 | — | — | |
| SCHEMBL14433357 | 0.78 | EPHX1 (0.70) | — | |
| SCHEMBL7252127 | 0.78 | EPHX1 (0.77) | — | |
| SCHEMBL16542301 | 0.77 | EPHX1 (0.50) | — | |
| SCHEMBL9602960 | 0.77 | — | — | |
| SCHEMBL3397668 | 0.77 | TDP1 (0.58) | — | |
| SCHEMBL499171 | 0.76 | — | — | |
| SCHEMBL515070 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4524073-A | β-Lactam compounds | BEECHAM GROUP P.1.C. (GB) | 1985-06-18 | — | — | US | disclosed |
| EP-0101199-A1 | Beta-lactam compounds | BEECHAM GROUP PLC (GB) | 1984-02-22 | — | — | EP | disclosed |