⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2056982 | 0.73 | — | — | |
| SCHEMBL8007391 | 0.71 | — | — | |
| SCHEMBL11277667 | 0.71 | — | — | |
| SCHEMBL9763585 | 0.70 | — | — | |
| SCHEMBL3731363 | 0.70 | AKR1B1 (0.36) | — | |
| SCHEMBL12851469 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL5137869 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL17449732 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL8024973 | 0.68 | — | — | |
| SCHEMBL22275604 | 0.68 | — | — |
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-6906187-B2 | Manufacture of cefalosporins and intermediates | MIAT S.P.A. (IT) | 2005-06-14 | — | — | US | disclosed |
| US-20040176590-A1 | Manufacture of cefalosporins and intermediates | MIAT S.P.A. (IT) | 2004-09-09 | — | — | US | disclosed |