⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27975602 | 0.84 | THRB (0.34) | — | |
| SCHEMBL27975956 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL28206310 | 0.70 | — | — | |
| SCHEMBL28131944 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL2692362 | 0.69 | — | — | |
| SCHEMBL9546012 | 0.69 | — | — | |
| SCHEMBL4601055 | 0.69 | ALDH1A1 (0.52) | — | |
| SCHEMBL28423277 | 0.68 | — | — | |
| SCHEMBL21986692 | 0.67 | — | — | |
| SCHEMBL28217318 | 0.65 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| CN-108025916-A | Polymer-graphene composite material, method for preparing same, and polymer-graphene composite composition using same | 株式会社LG化学 | 2018-05-11 | — | — | CN | disclosed |