⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5907760 | 0.74 | TP53 (0.32) | — | |
| SCHEMBL6662908 | 0.71 | — | — | |
| SCHEMBL14269391 | 0.70 | — | — | |
| SCHEMBL6359329 | 0.67 | — | — | |
| SCHEMBL6668643 | 0.67 | — | — | |
| SCHEMBL2648793 | 0.67 | — | — | |
| SCHEMBL7749028 | 0.67 | — | — | |
| SCHEMBL475925 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL2502281 | 0.67 | — | — | |
| SCHEMBL21246731 | 0.66 | MAPK1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0336143-B1 | A NEW PROCESS FOR CARBAPENEM INTERMEDIATES | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1993-06-09 | — | — | EP | disclosed |
| US-4960879-A | REACTING SUBSTITUTED AZETIDINONE WITH TRANS SUBSTITUTED-METHYL ALKYLACRYLIC ACID AND REDUCING METAL | SHIONOGI & CO., LTD. (JP) | 1990-10-02 | — | — | US | disclosed |
| EP-0336143-A1 | A new process for carbapenem intermediates | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1989-10-11 | — | — | EP | disclosed |