⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3978961 | 0.78 | — | — | |
| SCHEMBL2266230 | 0.58 | — | — | |
| Methane SCHEMBL28750057 | 0.58 | — | — | |
| SCHEMBL29389890 | 0.58 | — | — | |
| SCHEMBL7899847 | 0.58 | — | — | |
| Phosphine SCHEMBL27727165 | 0.58 | — | — | |
| SCHEMBL15936511 | 0.58 | — | — | |
| SCHEMBL23534151 | 0.41 | — | — | |
| SCHEMBL23803091 | 0.41 | — | — | |
| Zinc Ion SCHEMBL21753941 | 0.41 | — | — |
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-8124264-B2 | Ion-conductive material and use thereof | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2012-02-28 | — | — | US | disclosed |