⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9870337 | 0.83 | — | — | |
| SCHEMBL9869265 | 0.68 | — | — | |
| SCHEMBL534278 | 0.62 | — | — | |
| SCHEMBL9362464 | 0.60 | — | — | |
| SCHEMBL578178 | 0.59 | — | — | |
| SCHEMBL11236189 | 0.59 | — | — | |
| SCHEMBL5936054 | 0.59 | MEN1 (0.39) | — | |
| SCHEMBL11607779 | 0.58 | — | — | |
| SCHEMBL938322 | 0.57 | NQO1 (0.36) | — | |
| SCHEMBL577582 | 0.56 | — | — |
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-5077401-A | Herbicides | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1991-12-31 | — | — | US | disclosed |
| US-4902335-A | Benzo-fused cyclic compounds | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1990-02-20 | — | — | US | disclosed |
| US-4683227-A | CEPHALOSPORINS | ELI LILLY AND COMPANY (US) | 1987-07-28 | — | — | US | disclosed |
| EP-0211526-A2 | Cephalosporins, their preparation and formulations | ELI LILLY AND COMPANY (US) | 1987-02-25 | — | — | EP | disclosed |