⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8767797 | 1.00 | ITGB1 (0.38) | — | |
| SCHEMBL8110089 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL10814097 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL8766854 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL9247739 | 0.69 | POLB (0.40) | — | |
| SCHEMBL7716010 | 0.68 | — | — | |
| SCHEMBL8094825 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL11063208 | 0.65 | ITGB3 (0.34) | — | |
| SCHEMBL11061398 | 0.65 | ITGB3 (0.34) | — | |
| SCHEMBL9184177 | 0.65 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0023887-B1 | 3-SUBSTITUTED BICYCLIC AZETIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND INTERMEDIATES AS WELL AS THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1984-11-07 | — | — | EP | claimed |
| US-4431588-A | PENACILLINS | CIBA-GEIGY CORPORATION (US) | 1984-02-14 | — | — | US | claimed |
| EP-0023887-A2 | 3-Substituted bicyclic azetidinone derivatives, process for their preparation, and intermediates as well as their preparation | CIBA-GEIGY AG (CH) | 1981-02-11 | — | — | EP | claimed |
| US-6071899-A | Azetidinone derivatives for the treatment of atherosclerosis | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-06-06 | — | — | US | disclosed |
| EP-0788478-A1 | AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1997-08-13 | — | — | EP | disclosed |
| WO-1996013484-A1 | AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1996-05-09 | — | — | WO | disclosed |
| EP-0023887-B1 | 3-SUBSTITUTED BICYCLIC AZETIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND INTERMEDIATES AS WELL AS THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1984-11-07 | — | — | EP | disclosed |
| US-4436661-A | INTERMEDIATES FOR PENICILLIN ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1984-03-13 | — | — | US | disclosed |
| US-4431588-A | PENACILLINS | CIBA-GEIGY CORPORATION (US) | 1984-02-14 | — | — | US | disclosed |
| EP-0023887-A2 | 3-Substituted bicyclic azetidinone derivatives, process for their preparation, and intermediates as well as their preparation | CIBA-GEIGY AG (CH) | 1981-02-11 | — | — | EP | disclosed |