⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28185702 | 0.93 | — | — | |
| SCHEMBL8901753 | 0.78 | TSHR (0.31) | — | |
| Boric Acid SCHEMBL29245272 | 0.76 | — | — | |
| Boric Acid SCHEMBL29245171 | 0.76 | — | — | |
| Boric Acid SCHEMBL29245183 | 0.76 | — | — | |
| SCHEMBL790192 | 0.72 | — | — | |
| SCHEMBL890983 | 0.71 | — | — | |
| SCHEMBL291553 | 0.71 | — | — | |
| Oxalic Acid SCHEMBL28713243 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL29119777 | 0.69 | TSHR (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118056309-A | Flame-retardant nonaqueous electrolyte and secondary battery using same | 国立大学法人京都大学 | 2024-05-17 | — | — | CN | disclosed |