⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18768434 | 0.92 | — | — | |
| SCHEMBL18768427 | 0.92 | — | — | |
| SCHEMBL18768401 | 0.91 | ALDH1A1 (0.51) | — | |
| SCHEMBL18768367 | 0.89 | BCHE (0.50) | — | |
| SCHEMBL18768551 | 0.89 | ATM (0.48) | — | |
| SCHEMBL18768416 | 0.87 | AKR1C3 (0.44) | — | |
| SCHEMBL18768448 | 0.86 | AKR1C3 (0.45) | — | |
| SCHEMBL18768433 | 0.86 | HRH4 (0.57) | — | |
| SCHEMBL18768423 | 0.86 | AKR1C3 (0.46) | — | |
| SCHEMBL18768577 | 0.85 | DRD2 (0.43) | — |
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-2017066705-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES | AQUINNAH PHARMACEUTICALS, INC. (US) | 2017-04-20 | — | — | WO | disclosed |