⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20240692 | 0.62 | — | — | |
| SCHEMBL3866620 | 0.54 | — | — | |
| SCHEMBL3867103 | 0.49 | — | — | |
| SCHEMBL665724 | 0.49 | — | — | |
| SCHEMBL4269999 | 0.48 | ALDH1A1 (0.39) | — | |
| SCHEMBL9362404 | 0.48 | — | — | |
| SCHEMBL24525602 | 0.44 | ALDH1A1 (0.35) | — | |
| SCHEMBL30359423 | 0.44 | — | — | |
| Butane SCHEMBL9292387 | 0.39 | TSHR (0.50) | — | |
| Butane SCHEMBL8628663 | 0.39 | TSHR (0.50) | — |
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-4631339-A | 1,3,5-triazepinones | ELI LILLY AND COMPANY (US) | 1986-12-23 | — | — | US | disclosed |
| US-4514564-A | 7β-(2'-(1\",3\",5\"-Triazepin-4\"-one)-2'-(oxime ether)-acetamido)-3-substituted cephalosporins | ELI LILLY AND COMPANY (US) | 1985-04-30 | — | — | US | disclosed |
| US-4436912-A | 7-[2-(2-Aminooxazol-4-yl)-2-(oximino)acetamido cephalosporin antibiotics and intermediates therefor | ELI LILLY AND COMPANY (US) | 1984-03-13 | — | — | US | disclosed |
| US-4430499-A | 7-[2-(2-Aminooxazol-4-yl)-2-(oximino)acetamido]cephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1984-02-07 | — | — | US | disclosed |