⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL232211 | 0.72 | — | — | |
| SCHEMBL19022 | 0.72 | — | — | |
| SCHEMBL4166774 | 0.69 | NOS1 (0.32) | — | |
| SCHEMBL6593673 | 0.68 | — | — | |
| SCHEMBL1028461 | 0.68 | — | — | |
| SCHEMBL1028569 | 0.68 | — | — | |
| SCHEMBL6651683 | 0.68 | — | — | |
| SCHEMBL11863 | 0.68 | — | — | |
| SCHEMBL1173318 | 0.68 | — | — | |
| SCHEMBL1028751 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2513298-A2 | BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE | President and Fellows of Harvard College (US) | 2012-10-24 | — | — | EP | disclosed |
| US-4338436-A | ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1982-07-06 | — | — | US | disclosed |
| US-4338439-A | BACTERICIDAL ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1982-07-06 | — | — | US | disclosed |
| US-4319028-A | 7-(2-(Substituted benzoyl)amino)acetamido)cephalosporins | ELI LILLY AND COMPANY (US) | 1982-03-09 | — | — | US | disclosed |