⚠ 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 SCHEMBL2833364 | 0.87 | ACHE (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL17179964 | 0.85 | TSHR (0.33) | — | |
| SCHEMBL14118971 | 0.81 | BBOX1 (0.32) | — | |
| Sulfuric Acid SCHEMBL17102670 | 0.80 | BBOX1 (0.34) | — | |
| SCHEMBL15670959 | 0.79 | CA2 (0.33) | — | |
| SCHEMBL14118616 | 0.79 | TSHR (0.35) | — | |
| Sulfuric Acid SCHEMBL17102587 | 0.78 | TSHR (0.37) | — | |
| Sulfuric Acid SCHEMBL21195060 | 0.78 | BBOX1 (0.33) | — | |
| SCHEMBL14836885 | 0.78 | BBOX1 (0.33) | — | |
| SCHEMBL5322934 | 0.77 | BBOX1 (0.35) | — |
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-20140322457-A1 | ADHESIVE COMPOSITION, ADHESIVE LAYER, POLARIZING FILM HAVING ADHESIVE AGENT LAYER, AND IMAGE FORMING DEVICE | NITTO DENKO CORPORATION (JP) | 2014-10-30 | — | — | US | disclosed |