⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17581120 | 0.56 | — | — | |
| SCHEMBL1468768 | 0.53 | — | — | |
| SCHEMBL11218163 | 0.47 | ACHE (0.30) | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.47 | RXFP1 (0.33) | — | |
| SCHEMBL18205013 | 0.47 | — | — | |
| Hexamethylbenzene SCHEMBL9577265 | 0.43 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL3853890 | 0.43 | RXFP1 (0.31) | — | |
| SCHEMBL17581108 | 0.43 | — | — | |
| Hexamethylbenzene SCHEMBL8980194 | 0.43 | RXFP1 (0.31) | — | |
| Methane SCHEMBL23044967 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0476338-B1 | Polyviologen modified electrode and use thereof | DAISO CO LTD (JP) | 1999-11-03 | — | — | EP | disclosed |
| US-5232574-A | Water and solvent insolubility | DAISO CO. LTD. (JP) | 1993-08-03 | — | — | US | disclosed |
| EP-0476338-A2 | Polyviologen modified electrode and use thereof | DAISO CO., LTD. (JP) | 1992-03-25 | — | — | EP | disclosed |