⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10100925 | 0.93 | MAPT (0.32) | — | |
| SCHEMBL24893724 | 0.90 | NPC1 (0.30) | — | |
| SCHEMBL21666735 | 0.89 | — | — | |
| SCHEMBL20826267 | 0.89 | — | — | |
| SCHEMBL21289689 | 0.86 | — | — | |
| SCHEMBL21793527 | 0.86 | — | — | |
| SCHEMBL22170023 | 0.85 | GAA (0.35) | — | |
| SCHEMBL24845695 | 0.85 | BCHE (0.32) | — | |
| SCHEMBL24845767 | 0.84 | PGR (0.31) | — | |
| SCHEMBL21895142 | 0.84 | MAPT (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-20230002416-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | UDC IRELAND LIMITED (IE) | 2023-01-05 | — | — | US | disclosed |