⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9426839 | 0.74 | NCF1 (0.39) | — | |
| SCHEMBL16084762 | 0.69 | PHGDH (0.31) | — | |
| SCHEMBL24677726 | 0.65 | — | — | |
| SCHEMBL16079972 | 0.64 | — | — | |
| SCHEMBL24677732 | 0.64 | — | — | |
| SCHEMBL26919587 | 0.63 | NCF1 (0.34) | — | |
| SCHEMBL14782008 | 0.63 | — | — | |
| SCHEMBL24677729 | 0.63 | CYP1A2 (0.31) | — | |
| SCHEMBL14769298 | 0.62 | — | — | |
| Ethane SCHEMBL5851586 | 0.60 | — | — |
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-20130065114-A1 | POLYMER ELECTROLYTE, MANUFACTURING METHOD FOR POLYMER ELECTROLYTE, IMIDE MONOMER, AND BATTERY | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2013-03-14 | — | — | US | disclosed |