⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10322003 | 0.75 | — | — | |
| SCHEMBL28056109 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL284966 | 0.70 | CA12 (0.41) | — | |
| SCHEMBL10322004 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL18177929 | 0.69 | TSHR (0.41) | — | |
| Phosphoric Acid SCHEMBL23274185 | 0.68 | ALDH1A1 (0.36) | — | |
| Phosphoric Acid SCHEMBL28212813 | 0.67 | ALDH1A1 (0.35) | — | |
| Phosphoric Acid SCHEMBL28174013 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL2991453 | 0.65 | — | — | |
| SCHEMBL778567 | 0.65 | — | — |
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-20160315351-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME | UBE INDUSTRIES, LTD (JP) | 2016-10-27 | — | — | US | disclosed |