⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5501908 | 0.84 | NTRK1 (0.32) | — | |
| SCHEMBL6066213 | 0.84 | TDP1 (0.36) | — | |
| SCHEMBL28758014 | 0.82 | IKBKE (0.30) | — | |
| SCHEMBL3121390 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL6066211 | 0.72 | — | — | |
| SCHEMBL5499871 | 0.72 | NTRK1 (0.33) | — | |
| SCHEMBL5500971 | 0.70 | POLB (0.32) | — | |
| SCHEMBL7108391 | 0.69 | KDM4E (0.41) | — | |
| SCHEMBL3115689 | 0.68 | ANPEP (0.36) | — | |
| SCHEMBL3123213 | 0.68 | NTRK1 (0.35) | — |
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-1663245-B1 | CEPHEM COMPOUNDS | ASTELLAS PHARMA INC (JP) | 2010-04-07 | — | — | EP | disclosed |
| US-7192943-B2 | Cephem compounds | ASTELLAS PHARMA INC. (JP) | 2007-03-20 | — | — | US | disclosed |
| US-20050096306-A1 | Cephem compounds | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2005-05-05 | — | — | US | disclosed |