⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20311571 | 0.89 | HSD17B1 (0.34) | — | |
| SCHEMBL20311765 | 0.89 | ESR1 (0.33) | — | |
| SCHEMBL20311574 | 0.88 | HSD17B1 (0.35) | — | |
| SCHEMBL20311757 | 0.86 | HSD17B10 (0.35) | — | |
| SCHEMBL20312115 | 0.85 | HSD17B1 (0.35) | — | |
| SCHEMBL20311769 | 0.85 | L3MBTL1 (0.36) | — | |
| SCHEMBL20312109 | 0.84 | MPI (0.34) | — | |
| SCHEMBL20311729 | 0.84 | GSTP1 (0.36) | — | |
| SCHEMBL27453791 | 0.83 | PDE6D (0.33) | — | |
| SCHEMBL20311722 | 0.83 | ESR1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3339293-B1 | COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-08-11 | — | — | EP | disclosed |
| EP-3339293-A1 | COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-06-27 | — | — | EP | disclosed |