⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL910154 | 0.59 | — | — | |
| SCHEMBL18828488 | 0.59 | — | — | |
| SCHEMBL22423893 | 0.59 | FUCA1 (0.31) | — | |
| SCHEMBL20381172 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL13716635 | 0.58 | — | — | |
| SCHEMBL21788730 | 0.58 | — | — | |
| SCHEMBL22048454 | 0.58 | CA1 (0.38) | — | |
| SCHEMBL14616020 | 0.57 | — | — | |
| SCHEMBL23394247 | 0.57 | APLNR (0.32) | — | |
| Hydrogen Sulfide SCHEMBL5678855 | 0.57 | — | — |
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-20230002417-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2023-01-05 | — | — | US | disclosed |