⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20231414 | 0.88 | CA2 (0.30) | — | |
| SCHEMBL9966452 | 0.84 | — | — | |
| SCHEMBL21251554 | 0.80 | — | — | |
| SCHEMBL21574542 | 0.78 | — | — | |
| SCHEMBL14220406 | 0.78 | — | — | |
| SCHEMBL21252606 | 0.77 | — | — | |
| SCHEMBL19450611 | 0.77 | — | — | |
| SCHEMBL22251942 | 0.77 | — | — | |
| SCHEMBL14036982 | 0.75 | — | — | |
| SCHEMBL20289729 | 0.74 | GAA (0.37) | — |
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-3046587-B1 | PROTEIN AND PEPTIDE-FREE SYNTHETIC VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE TYPE 3 | MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS (DE) | 2018-01-31 | — | — | EP | disclosed |