⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20128792 | 0.90 | — | — | |
| SCHEMBL20233665 | 0.89 | OGA (0.32) | — | |
| SCHEMBL20372878 | 0.87 | — | — | |
| SCHEMBL20325108 | 0.83 | — | — | |
| SCHEMBL20231900 | 0.79 | — | — | |
| SCHEMBL20230920 | 0.76 | BACE1 (0.31) | — | |
| SCHEMBL20233907 | 0.76 | — | — | |
| SCHEMBL20128761 | 0.75 | — | — | |
| SCHEMBL20128781 | 0.75 | — | — | |
| SCHEMBL20128791 | 0.74 | BACE1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200121684-A1 | MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE | UNIV YALE (US) | 2020-04-23 | — | — | US | disclosed |