⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12508442 | 0.80 | — | — | |
| SCHEMBL9474496 | 0.79 | CHRNB2 (0.52) | — | |
| SCHEMBL16541245 | 0.79 | CHRNB2 (0.65) | — | |
| SCHEMBL42229 | 0.77 | — | — | |
| SCHEMBL9601516 | 0.77 | — | — | |
| SCHEMBL29016409 | 0.76 | — | — | |
| SCHEMBL12172818 | 0.74 | EPHX1 (0.71) | — | |
| SCHEMBL19541342 | 0.74 | — | — | |
| SCHEMBL1753777 | 0.74 | — | — | |
| SCHEMBL22472239 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4078146-A | TREATMENT OF CARDIO-VASCULAR DISORDERS | AKTIEBOLAGET HASSLE (SW) | 1978-03-07 | — | — | US | claimed |
| 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 |