⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL463113 | 0.75 | — | — | |
| SCHEMBL11776737 | 0.75 | — | — | |
| SCHEMBL31487633 | 0.72 | — | — | |
| SCHEMBL20819269 | 0.72 | — | — | |
| SCHEMBL5718179 | 0.71 | — | — | |
| SCHEMBL20819321 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL28868915 | 0.69 | L3MBTL1 (0.32) | — | |
| SCHEMBL2488320 | 0.69 | L3MBTL1 (0.40) | — | |
| SCHEMBL11217270 | 0.68 | HDAC1 (0.46) | — | |
| SCHEMBL9599065 | 0.67 | — | — |
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 |