⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22707367 | 0.99 | ESR1 (0.30) | — | |
| SCHEMBL22707122 | 0.96 | — | — | |
| SCHEMBL22705961 | 0.94 | HNF4A (0.31) | — | |
| SCHEMBL22705730 | 0.90 | HNF4A (0.30) | — | |
| SCHEMBL22705948 | 0.89 | GPR84 (0.35) | — | |
| SCHEMBL22706005 | 0.87 | CES1 (0.37) | — | |
| SCHEMBL22707881 | 0.86 | KDM4E (0.38) | — | |
| SCHEMBL22707874 | 0.85 | HDAC4 (0.34) | — | |
| SCHEMBL22706142 | 0.84 | GPR84 (0.35) | — | |
| SCHEMBL22705952 | 0.84 | — | — |
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 |