⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24285447 | 0.83 | — | — | |
| SCHEMBL19075867 | 0.76 | — | — | |
| SCHEMBL24285572 | 0.76 | — | — | |
| SCHEMBL24285439 | 0.75 | ESR1 (0.32) | — | |
| SCHEMBL16019256 | 0.66 | TDP1 (0.31) | — | |
| SCHEMBL24285463 | 0.66 | — | — | |
| SCHEMBL22808126 | 0.65 | — | — | |
| SCHEMBL24285460 | 0.64 | RXRA (0.35) | — | |
| SCHEMBL18053255 | 0.63 | — | — | |
| SCHEMBL25021211 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3985439-A1 | MATERIAL FOR FORMING ORGANIC FILM, SUBSTRATE FOR MANUFACTURING SEMICONDUCTOR DEVICE, METHOD FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND FOR FORMING ORGANIC FILM | Shin-Etsu Chemical Co., Ltd. (JP) | 2022-04-20 | — | — | EP | disclosed |