⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6058748 | 0.86 | MAPT (0.34) | — | |
| SCHEMBL6059079 | 0.80 | TRPA1 (0.35) | — | |
| SCHEMBL6059200 | 0.78 | MAPT (0.35) | — | |
| SCHEMBL7379740 | 0.77 | MAPKAPK2 (0.32) | — | |
| SCHEMBL6058746 | 0.76 | CYP17A1 (0.36) | — | |
| SCHEMBL6058794 | 0.74 | GRIN2B (0.37) | — | |
| SCHEMBL6058917 | 0.73 | POLB (0.38) | — | |
| SCHEMBL6058911 | 0.72 | CYP17A1 (0.38) | — | |
| SCHEMBL6059388 | 0.72 | GRIN2B (0.39) | — | |
| SCHEMBL6059026 | 0.70 | GRIN2B (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1180098-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000066557-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2000-11-09 | — | — | WO | disclosed |