⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20282558 | 0.72 | RIPK1 (0.36) | — | |
| SCHEMBL20096019 | 0.68 | RIPK1 (0.44) | — | |
| SCHEMBL20095554 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL20228933 | 0.63 | TAAR1 (0.41) | — | |
| SCHEMBL20095586 | 0.62 | RIPK1 (0.58) | — | |
| SCHEMBL20095559 | 0.62 | RIPK1 (0.58) | — | |
| SCHEMBL20095562 | 0.61 | RIPK1 (0.59) | — | |
| SCHEMBL20095394 | 0.61 | RIPK1 (0.59) | — | |
| SCHEMBL96466 | 0.55 | TAAR1 (0.52) | — | |
| SCHEMBL28268325 | 0.53 | TAAR1 (0.48) | — |
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-2018073193-A1 | BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2018-04-26 | — | — | WO | disclosed |