⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22294719 | 0.89 | — | — | |
| SCHEMBL18688409 | 0.64 | — | — | |
| SCHEMBL21253853 | 0.62 | — | — | |
| SCHEMBL23652402 | 0.62 | — | — | |
| SCHEMBL321091 | 0.59 | — | — | |
| SCHEMBL21739708 | 0.58 | NOS3 (0.35) | — | |
| SCHEMBL1100011 | 0.58 | — | — | |
| SCHEMBL20465630 | 0.58 | — | — | |
| SCHEMBL19353059 | 0.58 | — | — | |
| SCHEMBL20762170 | 0.57 | GSK3A (0.40) | — |
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-3689882-A1 | NEW MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED | Universal Display Corporation (US) | 2020-08-05 | — | — | EP | disclosed |