⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16458540 | 0.65 | CYP1A2 (0.37) | — | |
| SCHEMBL11272804 | 0.61 | CSNK2A1 (0.39) | — | |
| SCHEMBL11272806 | 0.61 | CSNK2A1 (0.39) | — | |
| SCHEMBL10916107 | 0.60 | ALDH1A1 (0.44) | — | |
| SCHEMBL10916101 | 0.60 | ALDH1A1 (0.44) | — | |
| SCHEMBL10428685 | 0.57 | ALDH1A1 (0.36) | — | |
| SCHEMBL10428686 | 0.57 | ALDH1A1 (0.36) | — | |
| SCHEMBL10922281 | 0.56 | DAO (0.59) | — | |
| SCHEMBL11261423 | 0.56 | DAO (0.59) | — | |
| SCHEMBL25406990 | 0.56 | HCAR2 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993013108-A1 | SUBSTITUTED 3-CEPHEM COMPOUNDS AS ANTIBACTERIAL AGENTS | NAKANISHI SUSUMU (US) | 1993-07-08 | — | — | WO | disclosed |
| EP-0082498-A2 | Beta-lactam compounds and process for the preparation thereof | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1983-06-29 | — | — | EP | disclosed |
| EP-0048954-A2 | Beta-lactam compounds, process for the preparation thereof and intermediate products for the preparation thereof | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1982-04-07 | — | — | EP | disclosed |