⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20159605 | 0.91 | — | — | |
| SCHEMBL20159713 | 0.78 | — | — | |
| SCHEMBL20138681 | 0.75 | EPAS1 (0.34) | — | |
| SCHEMBL20142979 | 0.74 | PDE9A (0.37) | — | |
| SCHEMBL20159618 | 0.71 | — | — | |
| SCHEMBL20159991 | 0.70 | — | — | |
| SCHEMBL20154250 | 0.66 | PIK3CA (0.33) | — | |
| SCHEMBL20154264 | 0.65 | EPAS1 (0.34) | — | |
| SCHEMBL20142936 | 0.65 | SOS1 (0.39) | — | |
| SCHEMBL20159643 | 0.58 | — | — |
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 |