⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21474772 | 0.87 | — | — | |
| SCHEMBL20670087 | 0.87 | TNKS (0.33) | — | |
| SCHEMBL24202716 | 0.86 | — | — | |
| SCHEMBL21736390 | 0.85 | TNKS (0.34) | — | |
| SCHEMBL21736167 | 0.83 | TNKS (0.33) | — | |
| SCHEMBL21736433 | 0.81 | TNKS (0.33) | — | |
| SCHEMBL21736111 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL23983714 | 0.80 | TNKS (0.33) | — | |
| SCHEMBL25510571 | 0.79 | — | — | |
| SCHEMBL21736547 | 0.79 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| EP-3553049-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME | LG Chem, Ltd. (KR) | 2019-10-16 | — | — | EP | disclosed |