⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19809597 | 0.96 | GABBR2 (0.50) | — | |
| SCHEMBL5687858 | 0.96 | GABBR2 (0.50) | — | |
| SCHEMBL191930 | 0.96 | — | — | |
| SCHEMBL27963596 | 0.93 | — | — | |
| Phosphine SCHEMBL28343176 | 0.93 | — | — | |
| Water SCHEMBL28296827 | 0.93 | GABBR2 (0.48) | — | |
| Phosphoric Acid SCHEMBL28289798 | 0.93 | GABBR2 (0.48) | — | |
| SCHEMBL28840934 | 0.93 | GABBR2 (0.48) | — | |
| SCHEMBL191734 | 0.93 | — | — | |
| SCHEMBL1317106 | 0.89 | — | — |
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-106967375-A | composition for preparing pressure-sensitive adhesive | 德莎欧洲公司 | 2017-07-21 | — | — | CN | disclosed |