⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23231651 | 0.94 | PTGER4 (0.34) | — | |
| SCHEMBL23231706 | 0.94 | PTGER4 (0.34) | — | |
| SCHEMBL21217604 | 0.94 | — | — | |
| SCHEMBL21588594 | 0.89 | PTGER4 (0.35) | — | |
| SCHEMBL23077188 | 0.89 | KDM4E (0.34) | — | |
| SCHEMBL23231928 | 0.88 | CYP11B1 (0.32) | — | |
| SCHEMBL21217360 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL17989621 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL23231208 | 0.88 | PTGER4 (0.34) | — | |
| SCHEMBL18518914 | 0.87 | — | — |
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-20210111351-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-04-15 | — | — | US | disclosed |