⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20176764 | 0.91 | PGR (0.34) | — | |
| SCHEMBL20176779 | 0.84 | MGAT2 (0.31) | — | |
| SCHEMBL20176762 | 0.81 | — | — | |
| SCHEMBL19214194 | 0.80 | PTGS1 (0.37) | — | |
| SCHEMBL19758061 | 0.79 | PTGS1 (0.33) | — | |
| SCHEMBL20176769 | 0.79 | ADORA1 (0.30) | — | |
| SCHEMBL25622094 | 0.78 | PTGS1 (0.39) | — | |
| SCHEMBL20176767 | 0.77 | — | — | |
| SCHEMBL26998851 | 0.75 | PTGS1 (0.41) | — | |
| SCHEMBL14757445 | 0.75 | PTGS1 (0.41) | — |
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-20180145258-A1 | ORGANIC SEMICONDUCTOR ELEMENT, COMPOUND, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND MANUFACTURING METHOD THEREOF | FUJIFILM CORPORATION (JP) | 2018-05-24 | — | — | US | disclosed |