⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL94066 | 0.97 | — | — | |
| SCHEMBL1685227 | 0.97 | FBP1 (0.43) | — | |
| SCHEMBL28396937 | 0.94 | FBP1 (0.42) | — | |
| SCHEMBL28392308 | 0.94 | FBP1 (0.42) | — | |
| SCHEMBL28409125 | 0.94 | FBP1 (0.42) | — | |
| SCHEMBL21645232 | 0.94 | — | — | |
| SCHEMBL28003423 | 0.94 | — | — | |
| SCHEMBL28430354 | 0.92 | — | — | |
| SCHEMBL28888404 | 0.92 | FBP1 (0.40) | — | |
| SCHEMBL969142 | 0.81 | KDM4E (0.43) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1333836-A4 | CEPHALOSPORIN ANTIBIOTICS AND PRODRUGS THEREOF | ESSENTIAL THERAPEUTICS INC (US) | 2004-07-07 | — | — | EP | disclosed |
| EP-1333836-A2 | CEPHALOSPORIN ANTIBIOTICS AND PRODRUGS THEREOF | Essential Therapeutics, Inc. (US) | 2003-08-13 | — | — | EP | disclosed |
| US-6599893-B2 | Such as (7R)-7-(2-(2-amino-5-chlorothiazol-4-yl)-2-trityl-oxyiminoacetylamino)-3-(4 -methyl-(1,2, 3)thiadiazol-5-ylsulfanyl)-8-oxo-5-thia-1-aza-bicyclo(4.2.0)oct-2-ene-2 -carboxylic acid benzhydryl ester; methicillin-resistance | ESSENTIAL THERAPEUTICS, INC. | 2003-07-29 | — | — | US | disclosed |
| US-20020115650-A1 | Cephalosporin antibiotics and prodrugs thereof | MICROCIDE PHARMACEUTICALS. | 2002-08-22 | — | — | US | disclosed |
| WO-2002017854-A2 | CEPHALOSPORIN ANTIBIOTICS AND PRODRUGS THEREOF | ESSENTIAL THERAPEUTICS, INC. (US) | 2002-03-07 | — | — | WO | disclosed |