⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4757035 | 0.75 | — | — | |
| SCHEMBL9077911 | 0.58 | — | — | |
| SCHEMBL797119 | 0.55 | — | — | |
| SCHEMBL21290178 | 0.55 | KDM4E (0.32) | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.53 | RXFP1 (0.33) | — | |
| SCHEMBL19012030 | 0.49 | ALOX5 (0.30) | — | |
| SCHEMBL18908411 | 0.49 | — | — | |
| Hexamethylbenzene SCHEMBL10952629 | 0.48 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL10608743 | 0.48 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL10609849 | 0.48 | RXFP1 (0.31) | — |
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-20170349632-A1 | QUINOLIUM CONJUGATES OF CYCLOSPORIN | UCL BUSINESS PLC (GB) | 2017-12-07 | — | — | US | disclosed |