⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18772202 | 0.94 | — | — | |
| SCHEMBL18772084 | 0.87 | HCRTR1 (0.30) | — | |
| SCHEMBL18771769 | 0.85 | — | — | |
| SCHEMBL18772219 | 0.83 | DRD3 (0.32) | — | |
| SCHEMBL19416314 | 0.83 | — | — | |
| SCHEMBL18772064 | 0.83 | TLR8 (0.32) | — | |
| SCHEMBL18771679 | 0.82 | — | — | |
| SCHEMBL19415988 | 0.82 | — | — | |
| SCHEMBL19416583 | 0.80 | — | — | |
| SCHEMBL18772192 | 0.80 | TLR8 (0.31) | — |
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-3159337-A2 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | Ventirx Pharmaceuticals, Inc. (US) | 2017-04-26 | — | — | EP | disclosed |