⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13427495 | 0.73 | — | — | |
| SCHEMBL132816 | 0.65 | — | — | |
| SCHEMBL10413801 | 0.62 | — | — | |
| SCHEMBL6608652 | 0.62 | — | — | |
| SCHEMBL7629764 | 0.62 | — | — | |
| SCHEMBL193084 | 0.62 | — | — | |
| SCHEMBL17213901 | 0.62 | — | — | |
| SCHEMBL8412999 | 0.62 | — | — | |
| SCHEMBL1248736 | 0.61 | — | — | |
| SCHEMBL4182919 | 0.60 | — | — |
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-2970303-B1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-05-10 | — | — | EP | disclosed |