⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3958946 | 0.81 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL3963948 | 0.79 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL3962024 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL10159929 | 0.78 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL3960899 | 0.77 | CNR1 (0.32) | — | |
| SCHEMBL2688583 | 0.77 | HTT (0.34) | — | |
| SCHEMBL2762064 | 0.76 | — | — | |
| SCHEMBL2762245 | 0.76 | — | — | |
| SCHEMBL14142473 | 0.75 | CNR1 (0.32) | — | |
| SCHEMBL2803851 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6984652-B2 | Gyrase inhibitors | WARNER-LAMBERT COMPANY LLC (US) | 2006-01-10 | — | — | US | disclosed |
| US-20050250823-A1 | Gyrase inhibitors | YAGER KRAIG | 2005-11-10 | — | — | US | disclosed |
| US-20050054697-A1 | Gyrase inhibitors | PFIZER INC. | 2005-03-10 | — | — | US | disclosed |