⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22662511 | 0.86 | CYP2A6 (0.44) | — | |
| SCHEMBL25625291 | 0.83 | ALDH1A1 (0.48) | — | |
| SCHEMBL24604259 | 0.81 | — | — | |
| SCHEMBL25117415 | 0.81 | — | — | |
| SCHEMBL25486431 | 0.78 | — | — | |
| SCHEMBL24558401 | 0.78 | — | — | |
| SCHEMBL25117683 | 0.78 | — | — | |
| SCHEMBL19185604 | 0.77 | — | — | |
| SCHEMBL24088427 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL25458296 | 0.74 | ALDH1A1 (0.53) | — |
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-20210384431-A1 | AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2021-12-09 | — | — | US | disclosed |