⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22827757 | 0.86 | — | — | |
| SCHEMBL24211426 | 0.84 | — | — | |
| SCHEMBL26399417 | 0.83 | — | — | |
| SCHEMBL26311120 | 0.82 | CES2 (0.33) | — | |
| SCHEMBL16890367 | 0.82 | CES2 (0.33) | — | |
| SCHEMBL22731418 | 0.82 | — | — | |
| SCHEMBL26728360 | 0.80 | CES2 (0.31) | — | |
| SCHEMBL16889449 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL29693801 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL26400522 | 0.79 | — | — |
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-20200381634-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2020-12-03 | — | — | US | disclosed |