⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2310463 | 1.00 | — | — | |
| SCHEMBL2310459 | 1.00 | — | — | |
| SCHEMBL2310456 | 1.00 | — | — | |
| SCHEMBL6887280 | 0.88 | GAA (0.42) | — | |
| SCHEMBL15876176 | 0.88 | GAA (0.42) | — | |
| SCHEMBL15876175 | 0.88 | GAA (0.42) | — | |
| SCHEMBL15887791 | 0.88 | GAA (0.42) | — | |
| SCHEMBL14334369 | 0.83 | OPRM1 (0.41) | — | |
| SCHEMBL10189601 | 0.82 | CHRNA7 (0.50) | — | |
| SCHEMBL421148 | 0.82 | CHRNA7 (0.53) | — |
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-2011095434-A1 | TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-11 | — | — | WO | disclosed |