⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12230935 | 0.82 | — | — | |
| SCHEMBL28414083 | 0.79 | PRSS1 (0.37) | — | |
| SCHEMBL2222032 | 0.77 | — | — | |
| SCHEMBL2325628 | 0.77 | — | — | |
| SCHEMBL9688367 | 0.75 | — | — | |
| SCHEMBL1437710 | 0.75 | DGAT1 (0.44) | — | |
| SCHEMBL9235035 | 0.75 | — | — | |
| SCHEMBL5391563 | 0.75 | — | — | |
| SCHEMBL7196375 | 0.75 | — | — | |
| SCHEMBL5764839 | 0.73 | ELANE (0.46) | — |
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-5081116-A | A 7-(2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetamido, 3-(1,3-dithiolan-2-yl)-3-cephem-4-carboxylic acid and ester derivatives | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1992-01-14 | — | — | US | disclosed |
| EP-0392796-A2 | Cephalosporin derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1990-10-17 | — | — | EP | disclosed |