⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4655740 | 0.79 | — | — | |
| SCHEMBL3736570 | 0.79 | — | — | |
| SCHEMBL11590525 | 0.77 | — | — | |
| SCHEMBL16230562 | 0.77 | — | — | |
| SCHEMBL4657050 | 0.77 | — | — | |
| SCHEMBL8127007 | 0.77 | — | — | |
| SCHEMBL6968538 | 0.75 | — | — | |
| SCHEMBL6965922 | 0.75 | — | — | |
| SCHEMBL4657157 | 0.75 | — | — | |
| SCHEMBL6970310 | 0.72 | SMN1; SMN2 (0.36) | — |
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-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4236001-A | 7β-Acyloxy-3-heterocyclicthiomethyl cephalosporins | SMITHKLINE CORPORATION (US) | 1980-11-25 | — | — | US | disclosed |
| US-4218564-A | 7β-Hydroxy-3-heterocyclicthio-methyl cephalosporin intermediates | SMITHKLINE CORPORATION (US) | 1980-08-19 | — | — | US | disclosed |
| US-4158733-A | 7β-Acyloxy-3-acetoxymethyl cephalosporins | SMITHKLINE CORPORATION (US) | 1979-06-19 | — | — | US | disclosed |
| US-4131734-A | 7β-Acyloxy-3-heterocyclicthiomethyl cephalosporins | SMITHKLINE CORPORATION (US) | 1978-12-26 | — | — | US | disclosed |
| US-4020057-A | 7β-Acyloxy cephalosporins | SMITHKLINE CORPORATION (US) | 1977-04-26 | — | — | US | disclosed |