⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7616955 | 1.00 | — | — | |
| SCHEMBL736091 | 1.00 | — | — | |
| SCHEMBL8436447 | 0.93 | LCK (0.39) | — | |
| SCHEMBL8088176 | 0.91 | LCK (0.42) | — | |
| SCHEMBL789095 | 0.84 | — | — | |
| SCHEMBL6054261 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL28264594 | 0.80 | — | — | |
| SCHEMBL306336 | 0.78 | — | — | |
| SCHEMBL18757881 | 0.78 | — | — | |
| SCHEMBL3875750 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0620225-B1 | Cephalosporin derivatives | BASILEA PHARMACEUTICA AG (CH) | 2002-11-13 | — | — | EP | disclosed |
| US-5523400-A | 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1996-06-04 | — | — | US | disclosed |
| EP-0620225-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-10-19 | — | — | EP | disclosed |