⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16674420 | 0.91 | — | — | |
| SCHEMBL16674526 | 0.90 | — | — | |
| SCHEMBL19213989 | 0.89 | — | — | |
| SCHEMBL16674517 | 0.82 | — | — | |
| SCHEMBL19214020 | 0.81 | KDM4E (0.33) | — | |
| SCHEMBL19214022 | 0.81 | NR1H2 (0.31) | — | |
| SCHEMBL19216488 | 0.81 | — | — | |
| SCHEMBL13058844 | 0.80 | NR1H2 (0.30) | — | |
| SCHEMBL19472359 | 0.80 | CES1 (0.30) | — | |
| SCHEMBL13058845 | 0.77 | NR1H2 (0.30) | — |
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-20170226280-A1 | ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, COMPOUND, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, AND ORGANIC SEMICONDUCTOR FILM | FUJIFILM CORPORATION (JP) | 2017-08-10 | — | — | US | disclosed |