⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21969902 | 0.82 | THRB (0.31) | — | |
| SCHEMBL18508047 | 0.80 | — | — | |
| SCHEMBL18502235 | 0.78 | PLA2G1B (0.30) | — | |
| SCHEMBL18502230 | 0.77 | SLC6A2 (0.31) | — | |
| SCHEMBL21970310 | 0.77 | — | — | |
| SCHEMBL18502236 | 0.73 | — | — | |
| SCHEMBL18502226 | 0.71 | — | — | |
| SCHEMBL21970326 | 0.69 | — | — | |
| SCHEMBL18502223 | 0.68 | — | — | |
| SCHEMBL11996520 | 0.68 | TSHR (0.48) | — |
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-20170044188-A1 | COPPER COMPOUND, STARTING MATERIAL FOR FORMING THIN FILM, AND METHOD FOR MANUFACTURING THIN FILM | ADEKA CORPORATION (JP) | 2017-02-16 | — | — | US | disclosed |