⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22705952 | 0.99 | — | — | |
| SCHEMBL22707121 | 0.97 | — | — | |
| SCHEMBL22705956 | 0.93 | PRKDC (0.32) | — | |
| SCHEMBL22705734 | 0.92 | — | — | |
| SCHEMBL22707883 | 0.88 | ALDH1A1 (0.37) | — | |
| SCHEMBL22705951 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL22706663 | 0.87 | HDAC4 (0.36) | — | |
| SCHEMBL22707739 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL22706001 | 0.86 | CES1 (0.39) | — | |
| SCHEMBL22707141 | 0.86 | ALOX5 (0.34) | — |
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-20200373496-A1 | ORGANIC LIGHT EMITTING ELEMENT | LG CHEM, LTD. (KR) | 2020-11-26 | — | — | US | disclosed |