⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1006516 | 0.85 | — | — | |
| SCHEMBL459298 | 0.85 | — | — | |
| SCHEMBL2561049 | 0.81 | — | — | |
| SCHEMBL18101859 | 0.78 | CYP2D6 (0.36) | — | |
| SCHEMBL1879979 | 0.74 | — | — | |
| SCHEMBL14206969 | 0.74 | — | — | |
| SCHEMBL16438032 | 0.74 | — | — | |
| SCHEMBL13800919 | 0.72 | — | — | |
| SCHEMBL980824 | 0.71 | — | — | |
| SCHEMBL9414325 | 0.71 | TDP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160279224-A1 | PROTEIN AND PEPTIDE-FREE SYNTHETIC VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE TYPE 3 | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2016-09-29 | — | — | US | disclosed |