⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5021594 | 0.83 | BTK (0.31) | — | |
| SCHEMBL490902 | 0.77 | — | — | |
| SCHEMBL1233710 | 0.77 | PDE4A (0.38) | — | |
| 2,6-Diaminopurine SCHEMBL5017251 | 0.73 | PDPK1 (0.42) | — | |
| SCHEMBL5066802 | 0.73 | ADORA1 (0.37) | — | |
| SCHEMBL17060282 | 0.71 | PDPK1 (0.32) | — | |
| SCHEMBL27249680 | 0.71 | — | — | |
| SCHEMBL10047120 | 0.71 | L3MBTL1 (0.38) | — | |
| SCHEMBL19539317 | 0.71 | ADORA2A (0.36) | — | |
| SCHEMBL215053 | 0.71 | ADORA2A (0.40) | — |
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-0562836-A1 | Endo-xyloglucan transferase | TAKARA SHUZO CO. LTD. (JP) | 1993-09-29 | — | — | EP | disclosed |