⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17634062 | 0.68 | KDM1A (0.33) | — | |
| SCHEMBL12554033 | 0.63 | — | — | |
| SCHEMBL12555021 | 0.63 | — | — | |
| SCHEMBL12554032 | 0.60 | — | — | |
| SCHEMBL5336374 | 0.60 | — | — | |
| SCHEMBL24027509 | 0.59 | — | — | |
| SCHEMBL1412748 | 0.59 | KDM1A (0.41) | — | |
| SCHEMBL21336386 | 0.59 | — | — | |
| SCHEMBL11825895 | 0.58 | — | — | |
| SCHEMBL868982 | 0.58 | KDM1A (0.36) | — |
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-3345891-B1 | AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2019-09-11 | — | — | EP | disclosed |