⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4436717 | 0.80 | HSD17B10 (0.33) | — | |
| SCHEMBL31269349 | 0.80 | HSD17B10 (0.33) | — | |
| SCHEMBL5349497 | 0.80 | HDAC6 (0.36) | — | |
| SCHEMBL1721310 | 0.78 | GDA (0.39) | — | |
| SCHEMBL4520168 | 0.78 | HDAC6 (0.32) | — | |
| SCHEMBL7771667 | 0.78 | SLC2A1 (0.37) | — | |
| SCHEMBL6046332 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL11486221 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL840561 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL5170025 | 0.67 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| WO-2017136689-A1 | PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY | ACADEMIA SINICA (TW) | 2017-08-10 | — | — | WO | disclosed |