⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7200668 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL10934277 | 0.74 | — | — | |
| SCHEMBL5720505 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL5720429 | 0.69 | PKM (0.37) | — | |
| SCHEMBL8429888 | 0.66 | HRH3 (0.38) | — | |
| SCHEMBL6169087 | 0.66 | HRH3 (0.47) | — | |
| SCHEMBL4683083 | 0.66 | HRH3 (0.35) | — | |
| SCHEMBL5447913 | 0.66 | TAAR1 (0.46) | — | |
| SCHEMBL7285552 | 0.66 | — | — | |
| SCHEMBL7296375 | 0.65 | HRH3 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1020340-C | 1-carbacephalosporin antibiotics | LILLY CO ELI (US) | 1993-04-21 | — | — | CN | disclosed |
| EP-0232623-B1 | 1-CARBACEPHALOSPORIN ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| US-4892942-A | 1-CARBA (DETHIA)CEPHALOSPORINS | ELI LILLY AND COMPANY (US) | 1990-01-09 | — | — | US | disclosed |
| US-4791106-A | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0232623-A1 | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1987-08-19 | — | — | EP | disclosed |
| CN-86108961-A | 1-CARBACEPHALOSPORIN ANTIBIOTICS | — | 1987-08-05 | — | — | CN | disclosed |