⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20748682 | 0.78 | — | — | |
| SCHEMBL20748672 | 0.75 | — | — | |
| SCHEMBL20748738 | 0.66 | CYP1A2 (0.30) | — | |
| SCHEMBL21217565 | 0.64 | SCN9A (0.44) | — | |
| SCHEMBL25022106 | 0.64 | — | — | |
| SCHEMBL23676652 | 0.64 | — | — | |
| SCHEMBL23861233 | 0.63 | — | — | |
| SCHEMBL6838562 | 0.62 | HTT (0.36) | — | |
| SCHEMBL6838561 | 0.62 | HTT (0.36) | — | |
| SCHEMBL22600767 | 0.61 | ATM (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3428149-B1 | CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO LTD (KR) | 2021-07-28 | — | — | EP | disclosed |