⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21388324 | 0.81 | KDM4E (0.36) | — | |
| SCHEMBL23253027 | 0.80 | KDM4E (0.35) | — | |
| SCHEMBL24060355 | 0.80 | — | — | |
| SCHEMBL24385525 | 0.79 | — | — | |
| SCHEMBL20685061 | 0.77 | — | — | |
| SCHEMBL23074417 | 0.77 | KDM4E (0.35) | — | |
| SCHEMBL18568854 | 0.77 | KDM4E (0.40) | — | |
| SCHEMBL24180343 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL25765829 | 0.76 | — | — | |
| SCHEMBL24594491 | 0.75 | HDAC4 (0.33) | — |
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-3741763-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Display Co., Ltd. (KR) | 2020-11-25 | — | — | EP | disclosed |