⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19445970 | 0.84 | TDP1 (0.45) | — | |
| SCHEMBL21850174 | 0.81 | TDP1 (0.31) | — | |
| SCHEMBL23284720 | 0.81 | TDP1 (0.38) | — | |
| SCHEMBL23284747 | 0.76 | — | — | |
| SCHEMBL23284722 | 0.73 | — | — | |
| SCHEMBL19445985 | 0.67 | — | — | |
| SCHEMBL21159220 | 0.67 | KDM1A (0.31) | — | |
| SCHEMBL23284561 | 0.64 | — | — | |
| SCHEMBL23284889 | 0.63 | — | — | |
| SCHEMBL23284737 | 0.62 | — | — |
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-3099695-B1 | COMPOUNDS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2020-04-08 | — | — | EP | disclosed |