⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10990133 | 0.97 | — | — | |
| SCHEMBL10990136 | 0.97 | — | — | |
| SCHEMBL10990137 | 0.97 | — | — | |
| SCHEMBL10990130 | 0.97 | — | — | |
| SCHEMBL28221136 | 0.83 | — | — | |
| SCHEMBL724119 | 0.83 | — | — | |
| SCHEMBL10889369 | 0.81 | — | — | |
| SCHEMBL10889380 | 0.81 | — | — | |
| SCHEMBL14690245 | 0.73 | — | — | |
| SCHEMBL282533 | 0.72 | — | — |
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-1939294-A1 | Recombinant constructs of borrelia burgdorferi | RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2008-07-02 | — | — | EP | disclosed |