⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24660713 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL8311981 | 0.64 | — | — | |
| SCHEMBL17752004 | 0.64 | — | — | |
| SCHEMBL14086787 | 0.55 | — | — | |
| SCHEMBL2154246 | 0.55 | — | — | |
| Dimethylamine SCHEMBL6356590 | 0.55 | — | — | |
| SCHEMBL1796257 | 0.51 | — | — | |
| SCHEMBL20212016 | 0.51 | — | — | |
| SCHEMBL49646 | 0.51 | — | — | |
| SCHEMBL170103 | 0.51 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230127728-A1 | MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION | CANON KK (JP) | 2023-04-27 | — | — | US | disclosed |
| WO-2022058371-A1 | USE OF DIEUGENOL, OLIGOMERS AND/OR POLYMERS OF EUGENOL FOR STABILIZING ORGANIC MATERIALS, STABILIZED PLASTICS COMPOSITION, STABILIZER COMPOSITION AND METHOD FOR STABILIZING ORGANIC MATERIALS | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2022-03-24 | — | — | WO | disclosed |