⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8523180 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL15448936 | 0.56 | — | — | |
| SCHEMBL1015818 | 0.52 | — | — | |
| SCHEMBL17200970 | 0.51 | — | — | |
| SCHEMBL762235 | 0.48 | — | — | |
| SCHEMBL20414326 | 0.46 | — | — | |
| SCHEMBL6906143 | 0.45 | — | — | |
| SCHEMBL12570744 | 0.45 | — | — | |
| SCHEMBL12550666 | 0.42 | — | — | |
| SCHEMBL19721753 | 0.42 | NOS2 (0.34) | — |
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-3397640-B1 | XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS | INST NAT SANTE RECH MED (FR) | 2021-08-04 | — | — | EP | disclosed |