⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20159335 | 0.87 | — | — | |
| SCHEMBL20159254 | 0.84 | — | — | |
| SCHEMBL20159643 | 0.68 | — | — | |
| SCHEMBL20138718 | 0.65 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL20159706 | 0.64 | — | — | |
| SCHEMBL23183159 | 0.62 | — | — | |
| SCHEMBL23182988 | 0.61 | — | — | |
| SCHEMBL20139045 | 0.61 | PPARG (0.32) | — | |
| SCHEMBL20139790 | 0.60 | HTR2A (0.39) | — | |
| SCHEMBL3789597 | 0.60 | HSD11B1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2018087018-A1 | PHENOXYTRIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-17 | — | — | WO | disclosed |