⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4306430 | 0.82 | CYP3A4 (0.35) | — | |
| SCHEMBL9250961 | 0.82 | AHR (0.39) | — | |
| SCHEMBL1436824 | 0.76 | AHR (0.44) | — | |
| SCHEMBL7594519 | 0.76 | AHR (0.44) | — | |
| SCHEMBL6519000 | 0.73 | AHR (0.42) | — | |
| SCHEMBL6518998 | 0.73 | AHR (0.42) | — | |
| SCHEMBL6511396 | 0.73 | AHR (0.42) | — | |
| SCHEMBL4300949 | 0.72 | CYP3A4 (0.41) | — | |
| SCHEMBL9974977 | 0.72 | CYP3A4 (0.41) | — | |
| SCHEMBL16099917 | 0.68 | AHR (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020049191-A1 | Cephalosporin derivatives | BRISTOL-MYERS SQUIBB COMPANY | 2002-04-25 | — | — | US | disclosed |
| EP-0966472-A1 | CEPHALOSPORIN DERIVATIVES | Bristol-Myers Squibb Company (US) | 1999-12-29 | — | — | EP | disclosed |
| EP-0966472-A4 | — | — | 1999-12-29 | — | — | EP | disclosed |
| WO-1998023621-A1 | CEPHALOSPORIN DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |