⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20857829 | 0.86 | MAPT (0.32) | — | |
| SCHEMBL23029096 | 0.85 | PER2 (0.30) | — | |
| SCHEMBL23109547 | 0.84 | — | — | |
| SCHEMBL21451692 | 0.84 | — | — | |
| SCHEMBL20857833 | 0.84 | TP53 (0.32) | — | |
| SCHEMBL23029090 | 0.83 | KDM4E (0.34) | — | |
| SCHEMBL21451845 | 0.83 | — | — | |
| SCHEMBL20857826 | 0.82 | TP53 (0.32) | — | |
| SCHEMBL21451689 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL21452073 | 0.82 | TSPO (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-20210057650-A1 | AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | LG CHEM, LTD. (KR) | 2021-02-25 | — | — | US | disclosed |