⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11633170 | 0.67 | — | — | |
| SCHEMBL4310344 | 0.62 | — | — | |
| SCHEMBL3630395 | 0.62 | — | — | |
| SCHEMBL29846477 | 0.58 | CDC25B (0.30) | — | |
| SCHEMBL30574445 | 0.58 | CDC25B (0.30) | — | |
| SCHEMBL22245644 | 0.57 | — | — | |
| SCHEMBL28391247 | 0.52 | HSP90AA1 (0.35) | — | |
| SCHEMBL28147 | 0.51 | — | — | |
| SCHEMBL1324800 | 0.50 | ALDH1A1 (0.42) | — | |
| SCHEMBL146886 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5037975-A | Antibiotics | ELI LILLY AND COMPANY (US) | 1991-08-06 | — | — | US | disclosed |
| US-4939249-A | HEATING CEPHALOSPORIN 1,1-DIOXIDE IN SOLVENT WITH FREE RADICAL INITIATOR | ELI LILLY AND COMPANY (US) | 1990-07-03 | — | — | US | disclosed |
| EP-0359540-A2 | Process for 1-carba(dethia) cephalosporins | ELI LILLY AND COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |