⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6051456 | 0.74 | — | — | |
| SCHEMBL6051450 | 0.74 | — | — | |
| SCHEMBL4311579 | 0.72 | CYP2C9 (0.33) | — | |
| SCHEMBL9619930 | 0.69 | — | — | |
| SCHEMBL4318926 | 0.69 | MAPK1 (0.30) | — | |
| SCHEMBL7202635 | 0.69 | — | — | |
| SCHEMBL9868986 | 0.69 | — | — | |
| SCHEMBL17788510 | 0.67 | HRH4 (0.33) | — | |
| SCHEMBL11521157 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL11521162 | 0.67 | RAB9A (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008041100-A1 | IMPROVED PROCESS FOR THE PREPARATION OF CEPHALOSPORIN ANTIBIOTICS | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2008-04-10 | — | — | WO | disclosed |