⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19121964 | 0.73 | — | — | |
| SCHEMBL11967315 | 0.71 | PIK3CA (0.30) | — | |
| SCHEMBL17768671 | 0.68 | PIK3CD (0.32) | — | |
| SCHEMBL13637879 | 0.68 | MPO (0.33) | — | |
| SCHEMBL23133160 | 0.67 | PIK3CA (0.32) | — | |
| SCHEMBL17768600 | 0.67 | BPTF (0.31) | — | |
| SCHEMBL2649843 | 0.67 | PIK3CD (0.32) | — | |
| SCHEMBL18018738 | 0.64 | DGAT1 (0.33) | — | |
| SCHEMBL8931289 | 0.64 | ADORA2A (0.35) | — | |
| SCHEMBL1528250 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3985739-A | 3-Heterocyclic thiomethylcephalosporins | SMITHKLINE CORPORATION (US) | 1976-10-12 | — | — | US | disclosed |
| US-3968226-A | 3-Heterocyclic thiomethylcephalosporins as antibacterial agents | SMITHKLINE CORPORATION (US) | 1976-07-06 | — | — | US | disclosed |