⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25513824 | 0.89 | NPC1 (0.32) | — | |
| SCHEMBL25512993 | 0.85 | — | — | |
| SCHEMBL25514031 | 0.82 | — | — | |
| SCHEMBL25514253 | 0.80 | — | — | |
| SCHEMBL25515000 | 0.80 | — | — | |
| SCHEMBL25513279 | 0.79 | — | — | |
| SCHEMBL25513692 | 0.79 | — | — | |
| SCHEMBL25513912 | 0.77 | NPC1 (0.31) | — | |
| SCHEMBL25513470 | 0.77 | SKP2 (0.33) | — | |
| SCHEMBL25512593 | 0.72 | CNR1 (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-20230159567-A1 | ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES | SAMSUNG DISPLAY CO., LTD. (KR) | 2023-05-25 | — | — | US | disclosed |