⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4633350 | 1.00 | — | — | |
| SCHEMBL6242308 | 0.81 | — | — | |
| SCHEMBL4621687 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8069965 | 0.65 | LPO (0.36) | — | |
| SCHEMBL20014738 | 0.63 | — | — | |
| SCHEMBL21913584 | 0.63 | KDM4E (0.35) | — | |
| SCHEMBL18778746 | 0.62 | LPO (0.33) | — | |
| SCHEMBL5935359 | 0.60 | LPO (0.36) | — | |
| SCHEMBL5749642 | 0.56 | LPO (0.33) | — | |
| SCHEMBL4107487 | 0.54 | MAPT (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1930335-A1 | Cephalosporines having cyclic aminoguanidine substituents as Antibiotics | Nabriva Therapeutics AG (AT) | 2008-06-11 | — | — | EP | disclosed |
| US-6440957-B1 | Cephalosporines having cyclic aminoguanidine substituents as antibiotics | BIOCHEMIE GESELLSCHAFT M.B.H. (AT) | 2002-08-27 | — | — | US | disclosed |