⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14724844 | 0.82 | — | — | |
| SCHEMBL28175848 | 0.78 | GRIK1 (0.32) | — | |
| 1,1-Dichloroethene SCHEMBL8598616 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL23712167 | 0.76 | — | — | |
| SCHEMBL1082005 | 0.76 | — | — | |
| SCHEMBL10258956 | 0.76 | — | — | |
| SCHEMBL9311666 | 0.76 | TSHR (0.53) | — | |
| SCHEMBL31300186 | 0.74 | — | — | |
| SCHEMBL8237165 | 0.74 | GLA (0.34) | — | |
| SCHEMBL18872931 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022263236-A1 | METHOD FOR PURIFYING A TEREPHTHALATE DIESTER MONOMER BY ADSORPTION | IFP Energies Nouvelles (FR) | 2022-12-22 | — | — | WO | disclosed |