⚠ 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL28651708 | 0.89 | — | — | |
| SCHEMBL11627579 | 0.76 | — | — | |
| SCHEMBL28633338 | 0.67 | — | — | |
| SCHEMBL28633308 | 0.67 | APP (0.38) | — | |
| SCHEMBL28885798 | 0.64 | TSHR (0.30) | — | |
| SCHEMBL22462542 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL29074304 | 0.62 | CA2 (0.30) | — | |
| Sulfuric Acid SCHEMBL17102690 | 0.59 | — | — | |
| SCHEMBL22462445 | 0.58 | — | — | |
| SCHEMBL28575403 | 0.58 | — | — |
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-113248441-A | Dual-functional ionic liquid, preparation method thereof and application thereof in catalytic synthesis of bisphenol compound | 大连理工大学 | 2021-08-13 | — | — | CN | disclosed |