⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23504794 | 0.78 | RIPK1 (0.32) | — | |
| SCHEMBL20159348 | 0.69 | — | — | |
| SCHEMBL18971166 | 0.66 | PSEN1 (0.38) | — | |
| SCHEMBL20159585 | 0.66 | PSEN1 (0.34) | — | |
| SCHEMBL18971164 | 0.66 | PSEN1 (0.38) | — | |
| SCHEMBL21050393 | 0.66 | PSEN1 (0.38) | — | |
| SCHEMBL18952804 | 0.66 | PSEN1 (0.38) | — | |
| SCHEMBL31233519 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL20159204 | 0.64 | HRH3 (0.32) | — | |
| SCHEMBL23504801 | 0.62 | MMP2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3538516-B1 | PHENOXYTRIAZOLES | HOFFMANN LA ROCHE (CH) | 2021-06-16 | — | — | EP | disclosed |