⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22918923 | 0.79 | — | — | |
| SCHEMBL31616351 | 0.78 | ALDH1A1 (0.52) | — | |
| SCHEMBL24733337 | 0.77 | — | — | |
| SCHEMBL21456369 | 0.77 | — | — | |
| SCHEMBL14882546 | 0.77 | — | — | |
| SCHEMBL20612847 | 0.74 | — | — | |
| SCHEMBL30412316 | 0.74 | — | — | |
| SCHEMBL296242 | 0.74 | — | — | |
| SCHEMBL12381467 | 0.73 | — | — | |
| SCHEMBL22918514 | 0.73 | — | — |
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-9238657-B2 | Cephalosporin having catechol group | SHIONOGI & CO., LTD. (JP) | 2016-01-19 | — | — | US | disclosed |
| EP-2341053-B1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO (JP) | 2016-01-13 | — | — | EP | disclosed |