⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13384184 | 0.90 | GBA1 (0.36) | — | |
| SCHEMBL13384241 | 0.87 | GBA1 (0.45) | — | |
| SCHEMBL13384399 | 0.87 | GBA1 (0.45) | — | |
| SCHEMBL13384064 | 0.86 | — | — | |
| SCHEMBL13431038 | 0.79 | GBA1 (0.35) | — | |
| SCHEMBL20126416 | 0.71 | — | — | |
| SCHEMBL18879244 | 0.71 | — | — | |
| SCHEMBL13384111 | 0.71 | — | — | |
| SCHEMBL18879133 | 0.71 | — | — | |
| SCHEMBL13431065 | 0.70 | — | — |
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-2682746-B1 | Methods for the diagnosis of ovarian cancer health states and risk of ovarian cancer health states | PHENOMENOME DISCOVERIES INC (CA) | 2017-05-24 | — | — | EP | disclosed |