⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11152000 | 0.76 | — | — | |
| SCHEMBL13489714 | 0.72 | — | — | |
| SCHEMBL11220035 | 0.70 | — | — | |
| SCHEMBL7813614 | 0.69 | — | — | |
| SCHEMBL11528941 | 0.67 | CYP1A2 (0.42) | — | |
| SCHEMBL7805123 | 0.67 | — | — | |
| SCHEMBL11166999 | 0.67 | — | — | |
| SCHEMBL263839 | 0.67 | — | — | |
| SCHEMBL16799916 | 0.66 | MAPT (0.37) | — | |
| SCHEMBL1696772 | 0.65 | HPGD (0.36) | — |
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-4346076-A | Bis-tetrazoylmethyl substituted cephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1982-08-24 | — | — | US | disclosed |
| EP-0048169-A2 | Bis-tetrazoylmethyl substituted cephalosporin antibiotics, their preparation and pharmaceutical formulations containing them | ELI LILLY AND COMPANY (US) | 1982-03-24 | — | — | EP | disclosed |
| US-4304774-A | Bis-tetrazolmethyl substituted β-lactam antibiotics | ELI LILLY AND COMPANY (US) | 1981-12-08 | — | — | US | disclosed |