⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5756006 | 0.66 | IL1B (0.53) | — | |
| SCHEMBL21915153 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL19489281 | 0.64 | EGFR (0.48) | — | |
| Hydrochloric Acid SCHEMBL5756281 | 0.64 | IL1B (0.51) | — | |
| SCHEMBL243566 | 0.62 | — | — | |
| SCHEMBL1965855 | 0.62 | ALDH1A1 (0.55) | — | |
| SCHEMBL245224 | 0.62 | CYP1A2 (0.61) | — | |
| SCHEMBL32678778 | 0.61 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL22110996 | 0.61 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL32678782 | 0.61 | SMN1; SMN2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101472902-A | Novel piperazine compounds and their use as HCV polymerase inhibitors | JAPAN TOBACCO INC (JP) | 2009-07-01 | — | — | 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 |