⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16667379 | 1.00 | — | — | |
| SCHEMBL14931214 | 0.85 | INPPL1 (0.30) | — | |
| SCHEMBL16667187 | 0.83 | TBXAS1 (0.33) | — | |
| SCHEMBL3480166 | 0.81 | INPPL1 (0.30) | — | |
| SCHEMBL3480334 | 0.81 | — | — | |
| SCHEMBL3480336 | 0.80 | — | — | |
| SCHEMBL3480350 | 0.80 | — | — | |
| SCHEMBL16666550 | 0.77 | TPSAB1 (0.31) | — | |
| SCHEMBL16667292 | 0.77 | TPSAB1 (0.33) | — | |
| SCHEMBL16667341 | 0.76 | ACHE (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049200-B1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC (CA) | 2015-04-29 | — | — | EP | claimed |