⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23618826 | 0.78 | EPHX2 (0.44) | — | |
| SCHEMBL23618681 | 0.78 | — | — | |
| SCHEMBL31612044 | 0.75 | MAPK8 (0.46) | — | |
| SCHEMBL23618787 | 0.74 | GSK3A (0.49) | — | |
| SCHEMBL23618686 | 0.74 | GSK3A (0.37) | — | |
| SCHEMBL31465472 | 0.69 | IRAK4 (0.32) | — | |
| SCHEMBL23625491 | 0.68 | MAPK8 (0.34) | — | |
| SCHEMBL23618810 | 0.67 | POLB (0.39) | — | |
| SCHEMBL23620508 | 0.66 | HTT (0.32) | — | |
| SCHEMBL23925200 | 0.65 | KMT2A (0.38) | — |
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-2021136463-A1 | PURINE DERIVATIVE AND MEDICAL USE THEREOF | 成都百裕制药股份有限公司 | 2021-07-08 | — | — | WO | disclosed |