⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20159970 | 0.68 | — | — | |
| SCHEMBL20159315 | 0.67 | — | — | |
| SCHEMBL20159327 | 0.65 | — | — | |
| SCHEMBL20138803 | 0.64 | SCN4A (0.38) | — | |
| SCHEMBL20159691 | 0.62 | — | — | |
| SCHEMBL20138682 | 0.60 | PTGS2 (0.36) | — | |
| SCHEMBL20138672 | 0.60 | PSEN1 (0.37) | — | |
| SCHEMBL20159274 | 0.60 | HTR2A (0.37) | — | |
| SCHEMBL14048393 | 0.60 | — | — | |
| SCHEMBL6914931 | 0.60 | PDE1A (0.39) | — |
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-2018087018-A1 | PHENOXYTRIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-17 | — | — | WO | disclosed |